SCHEMBL7683348

SCHEMBL7683348

CCC(C)c1cccc2c(Nc3c(C)cc(C)cc3C)nc(C)cc12

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.41
RAPGEF4 Q8WZA2 2/20 0.37

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
SCHEMBL7016669 0.89 CRHR1 (0.41) CRHR1RAPGEF4
SCHEMBL27397278 0.81 HTT (0.31)
SCHEMBL7684228 0.80 CRHR1 (0.43) CRHR1
SCHEMBL7018123 0.76 CRHR1 (0.48) CRHR1
SCHEMBL7013499 0.73 CRHR1 (0.44) CRHR1
SCHEMBL5866999 0.68 CRHR1 (0.60) CRHR1
SCHEMBL7014703 0.68 RAPGEF4 (0.40) RAPGEF4
SCHEMBL7018725 0.68 CRHR1 (0.39) CRHR1
SCHEMBL3352406 0.67 RAPGEF4 (0.58) RAPGEF4
SCHEMBL5866812 0.67 CRHR1 (0.45) CRHR1RAPGEF4

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-6492520-B1 COMPOUNDS (I) ARE CORTICOTROPIN RELEASING FACTOR (HORMONE) CRF (CRH) ANTAGONISTS. PFIZER INC 2002-12-10 US disclosed
EP-0920429-A1 SUBSTITUTED PYRIDO- OR PYRIMIDO-CONTAINING 6,6- OR 6,7-BICYCLIC DERIVATIVES PFIZER INC. (US) 1999-06-09 EP disclosed
WO-1998005661-A1 SUBSTITUTED PYRIDO- OR PYRIMIDO-CONTAINING 6,6- OR 6,7-BICYCLIC DERIVATIVES PFIZER INC. (US) 1998-02-12 WO disclosed