SCHEMBL27809251

SCHEMBL27809251

CCC(CC)c1ccc(Cl)c2nc3n(-c4cnc(N(C)C)cc4C)[c]cn3c12

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.39

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
SCHEMBL3750579 0.76 CRHR1 (0.39) CRHR1
SCHEMBL3751151 0.75 CRHR1 (0.50) CRHR1
SCHEMBL3765077 0.75 CRHR1 (0.52) CRHR1
SCHEMBL3758881 0.74 CRHR1 (0.39) CRHR1
SCHEMBL2055972 0.72 CRHR1 (0.61) CRHR1
SCHEMBL3754262 0.68 CRHR1 (0.44) CRHR1
SCHEMBL3733359 0.68 CRHR1 (0.44) CRHR1
SCHEMBL3747994 0.67 CRHR1 (0.46) CRHR1
SCHEMBL3723835 0.67 CRHR1 (0.45) CRHR1
SCHEMBL3758443 0.66 CRHR1 (0.51) 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
CN-101981031-A Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL 2011-02-23 CN disclosed