SCHEMBL13616927

SCHEMBL13616927

CCc1nc(-c2ccc(Cl)cc2CO)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OCCF

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 0.63

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
SCHEMBL3841052 0.90 CRHR1 (0.71) CRHR1
SCHEMBL3843157 0.90 CRHR1 (0.71) CRHR1
SCHEMBL3846142 0.88 CRHR1 (0.64) CRHR1
SCHEMBL3839329 0.87 CRHR1 (0.62) CRHR1
SCHEMBL3839327 0.87 CRHR1 (0.62) CRHR1
SCHEMBL13616934 0.86 CRHR1 (0.56) CRHR1
SCHEMBL3845337 0.85 CRHR1 (0.64) CRHR1
SCHEMBL3840892 0.84 CRHR1 (0.62) CRHR1
SCHEMBL3838991 0.83 CRHR1 (0.58) CRHR1
SCHEMBL3840649 0.83 CRHR1 (0.61) 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-1446387-B1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN CO LLC (US) 2009-11-04 EP disclosed