SCHEMBL5718812

SCHEMBL5718812

CN(C)CCCc1nnnc(CCCN(C)C)c1CCCN(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 3/20 0.37
▸ NOS1 P29475 3/20 0.37
▸ NOS2 P35228 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HRH3 Q9Y5N1 3/20 0.35
▸ HRH4 Q9H3N8 2/20 0.35
▸ CTH P32929 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ RAD52 P43351 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.31
▸ DNM1 Q05193 3/20 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
SCHEMBL1090895 0.67 TLR8 (0.46) NOS3NOS1NOS2ALDH1A1TLR8
SCHEMBL19399308 0.64 NMT1 (0.36) NOS3NOS1NOS2ALDH1A1TSHR
SCHEMBL5718810 0.64 ALDH1A1 (0.45) NOS3NOS1NOS2ALDH1A1TSHR
SCHEMBL16327123 0.63 ALDH1A1 (0.36) NOS3NOS1NOS2ALDH1A1TSHR
SCHEMBL28239563 0.62 NOS1 (0.50) NOS3NOS1NOS2ALDH1A1TSHR
SCHEMBL29066337 0.62 ALDH1A1 (0.43) NOS3NOS1NOS2ALDH1A1TSHR
SCHEMBL26733047 0.61 NOS3 (0.45) NOS3NOS1NOS2HRH3HRH4
SCHEMBL7092468 0.61 SIGMAR1 (0.53) HRH3HRH4SIGMAR1
SCHEMBL930197 0.61 HRH3 (0.39) NOS3NOS1NOS2ALDH1A1TSHR
SCHEMBL212626 0.59 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107743502-B Curing composition 爱客多有限公司 2020-08-28 — — CN claimed
US-9926404-B2 Curing compositions AQDOT LIMITED (GB) 2018-03-27 — — US claimed
EP-3095804-B1 CURING COMPOSITIONS AQDOT LTD (GB) 2017-09-27 — — EP claimed
US-20160340467-A1 CURING COMPOSITIONS AQDOT LIMITED (GB) 2016-11-24 — — US claimed
EP-3095804-A1 CURING COMPOSITIONS Aqdot Ltd (GB) 2016-11-23 — — EP claimed
CN-107743502-B Curing composition 爱客多有限公司 2020-08-28 — — CN disclosed
US-9926404-B2 Curing compositions AQDOT LIMITED (GB) 2018-03-27 — — US disclosed
EP-3095804-B1 CURING COMPOSITIONS AQDOT LTD (GB) 2017-09-27 — — EP disclosed
US-20160340467-A1 CURING COMPOSITIONS AQDOT LIMITED (GB) 2016-11-24 — — US disclosed
EP-3095804-A1 CURING COMPOSITIONS Aqdot Ltd (GB) 2016-11-23 — — EP disclosed
EP-1443065-B1 Low acid organometallic catalyst for the production of flexible, semi-flexible and rigid polyurethane foams AIR PROD & CHEM (US) 2006-09-13 — — EP disclosed
US-20060099417-A1 Polyurethane-based anhydrous sizing compositions for glass fibres, glass fibres obtained and composite materials comprising said fibres SAINT-GOBAIN VETROEX FRANCE (FR) 2006-05-11 — — US disclosed
WO-2000039497-A1 PRE-INSULATED PIPES AND PROCESS FOR THEIR PRODUCTION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2000-07-06 — — WO disclosed
WO-2000015689-A1 CO-INITIATED POLYETHER POLYOL AND PROCESS FOR ITS PREPARATION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2000-03-23 — — WO disclosed
EP-0656382-B1 Process for producing modified polyisocyanurate foams NISSHIN SPINNING (JP) 1998-08-26 — — EP disclosed
US-5177117-A CONTROLLED RELEASE CATALYSTS AND CURING AGENTS FOR MAKING POLYURETHANE AND/OR POLYISOCYANURATE PRODUCT AIR PRODUCTS AND CHEMICALS, INC. (US) 1993-01-05 — — US disclosed
EP-0396092-A2 Controlled release catalysts and curing agents for making polyurethane and/or polyisocyanurate product AIR PRODUCTS AND CHEMICALS, INC. (US) 1990-11-07 — — EP disclosed
EP-0361334-A2 Process for making low density flexible polyurethane foams THE DOW CHEMICAL COMPANY (US) 1990-04-04 — — EP disclosed
US-4430840-A FEEDING DIPHENYLMETHANE DIISOCYANATE, CATALYST, WATER, AND SOFTENING AGENT INTO HOLE, AND FOAMING SEALED AIR CORPORATION (US) 1984-02-14 — — US disclosed
US-4401769-A SOFTENERS, POLYISOCYANURATES, POLYCARBODIMIDES SEALED AIR CORPORATION (US) 1983-08-30 — — US disclosed
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