SCHEMBL7014572

SCHEMBL7014572

CCC(C)c1ccnc2c(Oc3c(C)cc(C)cc3C)nc(C)cc12

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.46

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
SCHEMBL7016641 0.89 CRHR1 (0.47) CRHR1
SCHEMBL7018123 0.81 CRHR1 (0.48) CRHR1
SCHEMBL7015900 0.80 CRHR1 (0.47) CRHR1
SCHEMBL7020456 0.76 CRHR1 (0.48) CRHR1
SCHEMBL7015310 0.75 CRHR1 (0.45) CRHR1
SCHEMBL8468997 0.74 CRHR1 (0.36) CRHR1
SCHEMBL7013018 0.74 CRHR1 (0.48) CRHR1
SCHEMBL7014769 0.73 CRHR1 (0.45) CRHR1
SCHEMBL7020442 0.70 CRHR1 (0.49) CRHR1
SCHEMBL6393855 0.68 CRHR1 (0.63) 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