SCHEMBL7009568

SCHEMBL7009568

CCC(C)N1CCSc2c1cc(C)nc2Nc1c(C)cc(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
CRHR1 P34998 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7013557 0.92 CRHR1 (0.39) CRHR1SMN1; SMN2
SCHEMBL7013470 0.80 L3MBTL1 (0.36) L3MBTL1CRHR1
SCHEMBL7016559 0.78 CRHR1 (0.35) L3MBTL1CRHR1
SCHEMBL7011268 0.78 CRHR1 (0.44) CRHR1
SCHEMBL7014696 0.78 CRHR1 (0.35) L3MBTL1CRHR1
SCHEMBL7019267 0.71 CRHR1 (0.40) CRHR1
SCHEMBL7019952 0.70 CRHR1 (0.46) CRHR1
SCHEMBL7018430 0.70 CRHR1 (0.41) CRHR1
SCHEMBL7015440 0.70 CRHR1 (0.41) CRHR1
SCHEMBL7013733 0.67 CRHR1 (0.40) 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