SCHEMBL13616934

SCHEMBL13616934

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

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 0.56

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
SCHEMBL3841425 0.91 CRHR1 (0.58) CRHR1
SCHEMBL3841427 0.91 CRHR1 (0.58) CRHR1
SCHEMBL3841275 0.91 CRHR1 (0.58) CRHR1
SCHEMBL3838924 0.89 CRHR1 (0.56) CRHR1
SCHEMBL3838930 0.89 CRHR1 (0.56) CRHR1
SCHEMBL3838928 0.89 CRHR1 (0.56) CRHR1
SCHEMBL13616927 0.86 CRHR1 (0.63) CRHR1
SCHEMBL3843437 0.85 CRHR1 (0.50) CRHR1
SCHEMBL3843441 0.85 CRHR1 (0.50) CRHR1
SCHEMBL3843442 0.85 CRHR1 (0.50) 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