SCHEMBL6669466

SCHEMBL6669466

CCc1nc(N[C@@H]2c3ccccc3C[C@@H]2CC)c(CC)nc1Br

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 0.46

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
SCHEMBL6640456 1.00 CRHR1 (0.46) CRHR1
SCHEMBL3843531 0.86 CRHR1 (0.46) CRHR1
SCHEMBL3845342 0.86 CRHR1 (0.46) CRHR1
SCHEMBL6649037 0.86 CRHR1 (0.46) CRHR1
SCHEMBL6100590 0.83 CRHR1 (0.41) CRHR1
SCHEMBL3838895 0.82 CRHR1 (0.37) CRHR1
SCHEMBL3842866 0.82 CRHR1 (0.37) CRHR1
SCHEMBL3843649 0.80 CRHR1 (0.43) CRHR1
SCHEMBL6100947 0.79 CRHR1 (0.41) CRHR1
SCHEMBL6100939 0.79 CRHR1 (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446387-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2004-08-18 EP disclosed
WO-2003045924-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-05 WO disclosed