SCHEMBL10355333

SCHEMBL10355333

CCCCC[C@H]1CC[C@H](CCc2ccc(-c3ncc(CCC)cn3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
MAPT P10636 4/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
RARB P10826 2/20 0.47
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NPC1 O15118 7/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
STAT3 P40763 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL10355334 1.00 RAB9A (0.50) RAB9ASMN1; SMN2MAPTGAAMEN1
SCHEMBL10355307 0.99 RAB9A (0.52) RAB9ASMN1; SMN2MAPTGAAMEN1
SCHEMBL10355306 0.99 RAB9A (0.52) RAB9ASMN1; SMN2MAPTGAAMEN1
SCHEMBL10354815 0.96 RAB9A (0.48) RAB9ASMN1; SMN2MAPTGAAMEN1
SCHEMBL10354816 0.96 RAB9A (0.48) RAB9ASMN1; SMN2MAPTGAAMEN1
SCHEMBL10354625 0.95 RAB9A (0.53) RAB9ASMN1; SMN2MAPTGAAMEN1
SCHEMBL10354626 0.95 RAB9A (0.53) RAB9ASMN1; SMN2MAPTGAAMEN1
SCHEMBL10355367 0.95 RAB9A (0.57) RAB9ASMN1; SMN2MAPTGAAMEN1
SCHEMBL10355024 0.95 RAB9A (0.57) RAB9ASMN1; SMN2MAPTGAAMEN1
SCHEMBL10354978 0.95 RAB9A (0.53) RAB9ASMN1; SMN2MAPTGAAMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62036365-A None JP disclosed
EP-0152808-B1 NITROGEN CONTAINING HETEROCYCLES MERCK PATENT GmbH (DE) 1990-09-12 EP disclosed
US-4882082-A PYRIMIDINE DERIVATIVE LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-11-21 US disclosed
EP-0283490-A1 PROCESS FOR THE PRODUCTION OF ETHANE DERIVATIVES. MERCK PATENT GMBH (DE) 1988-09-28 EP disclosed
US-4752414-A LIQUID CRYSTAL PHASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-06-21 US disclosed
WO-1988002364-A2 PROCESS FOR THE PRODUCTION OF ETHANE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-04-07 WO disclosed
JP-S6236365-A PYRIMIDINE DERIVATIVE CHISSO CORP 1987-02-17 JP disclosed