SCHEMBL168792

SCHEMBL168792

Nc1cc(N)c(C2CCCC2)cc1C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.43
HRH4 Q9H3N8 3/20 0.35
BACE1 P56817 2/20 0.35
NUDT1 P36639 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
PTK2 Q05397 1/20 0.35
HTR2A P28223 2/20 0.34
HRH3 Q9Y5N1 1/20 0.33
CEL P19835 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
DAO P14920 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9819248 0.84 CYP3A4 (0.41) TDO2KDM4EMEN1MAPTKMT2A
SCHEMBL342258 0.80 HTR2A (0.37) TDO2BACE1NUDT1KDM4EMEN1
SCHEMBL342627 0.80 TDO2 (0.34) TDO2HTR2AHSP90AA1
SCHEMBL30301253 0.80 HTR2A (0.37) TDO2BACE1NUDT1KDM4EMEN1
SCHEMBL169129 0.78 TDO2 (0.36) TDO2BACE1NUDT1KDM4EMEN1
SCHEMBL29779643 0.78 TDO2 (0.36) TDO2BACE1NUDT1KDM4EMEN1
SCHEMBL15243172 0.77 TDO2 (0.43) TDO2BACE1NUDT1KDM4EMEN1
SCHEMBL23675361 0.77 CHRNB2 (0.41) TDO2BACE1NUDT1KDM4EMEN1
SCHEMBL21156708 0.77 HTR2A (0.53) KDM4EHTR2ANPC1
SCHEMBL1771765 0.75 ALDH1A1 (0.44) TDO2BACE1NUDT1KDM4EMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 99 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3938416-B1 POLYURETHANE COATING COMPOSITIONS AND THEIR USE AS GEL COATS COVESTRO LLC (US) 2025-09-10 EP disclosed
US-20240376246-A1 ONE-POT PROCESS FOR THE PRODUCTION OF POLYCARBODIIMIDE CURED POLYMERS BASF SE (DE) 2024-11-14 US disclosed
US-20240343941-A1 DUAL-CURE RESIN COMPOSITION COMPRISING URETDIONE-CONTAINING COMPOUND AND ITS USE IN 3D PRINTING BASF SE (DE) 2024-10-17 US disclosed
EP-4402191-A1 ONE-POT PROCESS FOR THE PRODUCTION OF POLYCARBODIIMIDE CURED POLYMERS BASF SE (DE) 2024-07-24 EP disclosed
EP-4380990-A1 DUAL-CURE RESIN COMPOSITION COMPRISING URETDIONE-CONTAINING COMPOUND AND ITS USE IN 3D PRINTING BASF SE (DE) 2024-06-12 EP disclosed
CN-117980366-A One pot process for producing polycarbodiimide cured polymers 巴斯夫欧洲公司 2024-05-03 CN disclosed
CN-117836344-A Dual cure resin composition comprising uretdione containing compounds and use thereof in 3D printing 巴斯夫欧洲公司 2024-04-05 CN disclosed
WO-2023041443-A1 ONE-POT PROCESS FOR THE PRODUCTION OF POLYCARBODIIMIDE CURED POLYMERS BASF SE (DE) 2023-03-23 WO disclosed
WO-2023012000-A1 DUAL-CURE RESIN COMPOSITION COMPRISING URETDIONE-CONTAINING COMPOUND AND ITS USE IN 3D PRINTING BASF SE (DE) 2023-02-09 WO disclosed
US-11566145-B2 Polyurethane coating compositions and their use as gel coats COVESTRO LLC (US) 2023-01-31 US disclosed
US-20070024973-A1 Method of manufacturing a high impact polarized optical element and polarized optical element including an integrally bonded polarizing film BARBERINI S.P.A. (IT) 2007-02-01 US disclosed
US-6562932-B1 Optically clear, light-stable polyurethane-urea elastomer having an onset softening point of at least 130 degrees C., processed at ambient temperature and casted in a mold at an isocyanate index of 95 to 120. BAYER CORPORATION 2003-05-13 US disclosed
EP-1302491-A1 Light stable one-shot urethane-urea elastomers Bayer Corporation (US) 2003-04-16 EP disclosed
US-6530849-B2 Copolymer of toluene-2,4- or 2,6-diisocyanate, low molecular weight polyoxypropylene glycol and diamine functional chain extender; high resilience and shear resistance UNIROYAL CHEMICAL COMPANY, INC. 2003-03-11 US disclosed
WO-2002064658-A1 LOW COST, RESILIENT, SHEAR RESISTANT POLYURETHANE ELASTOMERS FOR GOLF BALL COVERS UNIROYAL CHEMICAL COMPANY, INC. (US) 2002-08-22 WO disclosed
US-20020049099-A1 Low cost, resilient, shear resistant polyurethane elastomers for golf ball covers UNIROYAL CHEMICAL COMPANY, INC. 2002-04-25 US disclosed
US-6309313-B1 AN INEXPENSIVE COVER OF A POLYETHERURETHANE COPOLYMER CHAIN EXTENDED BY A DIAMINE OR DIHYDROXY COMPOUND; POLYETHER MONOMER COMPRISING ETHYLENE GLYCOL OR ETHYLENE GLYCOL AND PROPYLENE GLYCOL; COLORFASTNESS; PHOTOSTABILITY UNIROYAL CHEMICAL COMPANY, INC. 2001-10-30 US disclosed
US-6174984-B1 Clear, resilient polyurethane elastomers UNIROYAL CHEMICAL COMPANY, INC. 2001-01-16 US disclosed
US-4631298-A REACTION INJECTION MOLDING POLYURETHANES ETHYL CORPORATION (US) 1986-12-23 US disclosed
US-4526905-A Chain extenders ETHYL CORPORATION (US) 1985-07-02 US disclosed