SCHEMBL7016373

SCHEMBL7016373

CCC(C)N1CC(=O)Nc2c1cc(C)nc2Oc1c(C)cc(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.42
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL7013571 0.92 CRHR1 (0.44) CRHR1
SCHEMBL7021249 0.87 CRHR1 (0.40) CRHR1
SCHEMBL7013713 0.81 CRHR1 (0.44) CRHR1
SCHEMBL7018802 0.77 CRHR1 (0.37) CRHR1
SCHEMBL6053133 0.76 CRHR1 (0.47) CRHR1
SCHEMBL5600440 0.75 CRHR1 (0.46) CRHR1
SCHEMBL7015606 0.74 CRHR1 (0.44) CRHR1
SCHEMBL7694374 0.74 CRHR1 (0.46) CRHR1
SCHEMBL7015261 0.73 CRHR1 (0.45) CRHR1
SCHEMBL7019418 0.73 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 4 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
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