SCHEMBL5256100

SCHEMBL5256100

COc1ccc(Nc2nc(C)cc(-n3ccc(-c4nccs4)n3)c2CCO[Si](C)(C)C(C)(C)C)c(C)n1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.44
P2RX7 Q99572 1/20 0.32
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL5571922 0.94 CRHR1 (0.45) CRHR1PDE10A
SCHEMBL5252713 0.92 CRHR1 (0.47) CRHR1
SCHEMBL5571984 0.88 CRHR1 (0.47) CRHR1
SCHEMBL5547372 0.84 CRHR1 (0.49) CRHR1PDE10A
SCHEMBL5551912 0.84 CRHR1 (0.51) CRHR1
SCHEMBL5550012 0.84 CRHR1 (0.47) CRHR1P2RX7
SCHEMBL5568978 0.83 CRHR1 (0.45) CRHR1PDE10A
SCHEMBL5571952 0.83 CRHR1 (0.46) CRHR1
SCHEMBL6013721 0.82 CRHR1 (0.38) CRHR1
SCHEMBL5571905 0.81 CRHR1 (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583531-B1 HETEROARYL-SUBSTITUTED PYRROLO[2, 3- B]PYRIDINE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS SB PHARMCO INC (US) 2007-04-18 EP disclosed