SCHEMBL6165217

SCHEMBL6165217

CC1(C)CC(=O)c2c(C(C)(C)C)nn(-c3ccccc3)c2C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.53
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
HSP90AB1 P08238 1/20 0.47
SRC P12931 1/20 0.46
KMT2A Q03164 2/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL6766781 0.87 OPRM1 (0.54) OPRM1HSP90AB1SRC
SCHEMBL6766480 0.87 OPRM1 (0.57) OPRM1ALDH1A1LMNAHSP90AB1SRC
SCHEMBL6767112 0.85 OPRM1 (0.58) OPRM1HSP90AB1SRC
SCHEMBL6164595 0.83 CCNA2 (0.47) OPRM1ALDH1A1HSP90AB1KMT2AMEN1
SCHEMBL6166305 0.82 OPRM1 (0.76) OPRM1ALDH1A1LMNATSHRKMT2A
SCHEMBL6168169 0.79 OPRM1 (0.53) OPRM1ALDH1A1LMNATSHRSRC
SCHEMBL6162637 0.79 OPRM1 (0.63) OPRM1ALDH1A1LMNATSHRSRC
SCHEMBL6162256 0.79 OPRM1 (0.50) OPRM1ALDH1A1LMNATSHRHSP90AB1
SCHEMBL6167303 0.78 ALDH1A1 (0.45) OPRM1ALDH1A1LMNATSHRSRC
SCHEMBL6164280 0.78 OPRM1 (0.45) OPRM1ALDH1A1LMNATSHRHSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177185-B1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-04-20 EP disclosed
US-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US disclosed
EP-1177185-A1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2002-02-06 EP disclosed
WO-2000069846-A1 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-11-23 WO disclosed