SCHEMBL6766480

SCHEMBL6766480

CC1(C)CC(=O)c2c(C(C)(C)C)nn(-c3cccc(Cl)c3)c2C1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.57
SRC P12931 2/20 0.53
OPRD1 P41143 2/20 0.50
OPRK1 P41145 2/20 0.50
HSP90AB1 P08238 3/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP11B2 P19099 1/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90B1 P14625 1/20 0.42
TRAP1 Q12931 1/20 0.42

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
SCHEMBL6165217 0.87 OPRM1 (0.53) OPRM1SRCHSP90AB1MEN1KMT2A
SCHEMBL6767112 0.86 OPRM1 (0.58) OPRM1SRCHSP90AB1
SCHEMBL6771820 0.84 OPRM1 (0.75) OPRM1SRCOPRD1OPRK1HSP90AB1
SCHEMBL6767529 0.81 OPRM1 (0.72) OPRM1SRCOPRD1OPRK1HSP90AB1
SCHEMBL6767149 0.81 OPRM1 (0.54) OPRM1SRCOPRD1OPRK1HSP90AB1
SCHEMBL6772487 0.81 SRC (0.53) OPRM1SRCMEN1KMT2AALDH1A1
SCHEMBL6770491 0.81 OPRM1 (0.51) OPRM1SRCOPRD1OPRK1HSP90AB1
SCHEMBL6771450 0.80 OPRM1 (0.46) OPRM1SRCOPRD1OPRK1HSP90AB1
SCHEMBL6766781 0.80 OPRM1 (0.54) OPRM1SRCOPRD1OPRK1HSP90AB1
SCHEMBL6772480 0.80 ALDH1A1 (0.67) OPRM1SRCOPRD1OPRK1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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