SCHEMBL3845458

SCHEMBL3845458

CCOC1Cc2ccccc2C1Nc1nc(CC)c(-c2ccc(Cl)cc2Cl)nc1C1CC1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 0.51

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
SCHEMBL3839763 1.00 CRHR1 (0.51) CRHR1
SCHEMBL3838876 0.92 CRHR1 (0.45) CRHR1
SCHEMBL3842030 0.91 CRHR1 (0.49) CRHR1
SCHEMBL3844752 0.91 CRHR1 (0.48) CRHR1
SCHEMBL3844569 0.91 CRHR1 (0.59) CRHR1
SCHEMBL3838504 0.91 CRHR1 (0.59) CRHR1
SCHEMBL3843415 0.91 CRHR1 (0.59) CRHR1
SCHEMBL3840898 0.90 CRHR1 (0.53) CRHR1
SCHEMBL3842548 0.89 CRHR1 (0.44) CRHR1
SCHEMBL3843468 0.89 CRHR1 (0.53) 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