SCHEMBL7705824

SCHEMBL7705824

CCCN(CCC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)ncnc12

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 19/20 0.66

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
SCHEMBL6352093 0.83 CRHR1 (0.64) CRHR1
SCHEMBL7219810 0.81 CRHR1 (0.62) CRHR1
SCHEMBL6343888 0.78 CRHR1 (0.61) CRHR1
SCHEMBL7220676 0.71 CRHR1 (0.53) CRHR1
SCHEMBL7565036 0.70 CRHR1 (0.49) CRHR1
SCHEMBL7214245 0.70 CRHR1 (0.64) CRHR1
SCHEMBL7220849 0.68 CRHR1 (0.49) CRHR1
SCHEMBL5419526 0.67 CRHR1 (1.00) CRHR1
SCHEMBL6779041 0.66 CRHR1 (0.55) CRHR1
SCHEMBL7029271 0.66 CRHR1 (0.44) 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
US-6352990-B1 A METHOD OF TREATING ANXIETY AND DEPRESSION IN A WARM-BLOODED ANIMAL AND TREATMENT OF STROKES BRISTOL-MYERS SQUIBB COMPANY 2002-03-05 US disclosed