SCHEMBL7018725

SCHEMBL7018725

CCC(C)n1c(=O)ccc2c(Nc3c(C)cc(C)cc3C)nc(C)cc21

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.39
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 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
SCHEMBL7018361 0.90 CRHR1 (0.44) CRHR1
SCHEMBL5866812 0.75 CRHR1 (0.45) CRHR1
SCHEMBL5866999 0.74 CRHR1 (0.60) CRHR1
SCHEMBL7015575 0.70 CRHR1 (0.47) CRHR1
SCHEMBL5599986 0.70 CRHR1 (0.39) CRHR1
SCHEMBL5599789 0.70 CRHR1 (0.39) CRHR1
SCHEMBL7683348 0.68 CRHR1 (0.41) CRHR1
SCHEMBL7684228 0.67 CRHR1 (0.43) CRHR1
SCHEMBL7016669 0.66 CRHR1 (0.41) CRHR1
SCHEMBL5867048 0.66 CRHR1 (0.45) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920429-B1 SUBSTITUTED PYRIDO- OR PYRIMIDO-CONTAINING 6,6- OR 6,7-BICYCLIC DERIVATIVES PFIZER (US) 2003-02-19 EP disclosed
US-6492520-B1 COMPOUNDS (I) ARE CORTICOTROPIN RELEASING FACTOR (HORMONE) CRF (CRH) ANTAGONISTS. PFIZER INC 2002-12-10 US disclosed