SCHEMBL4700550

SCHEMBL4700550

CCCN(Cc1nccs1)c1c2cccc(-c3c(C)cc(C)cc3C)c2nn1C

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 0.48

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
Trifluoroacetic Acid SCHEMBL4700529 0.92 CRHR1 (0.41) CRHR1
SCHEMBL4701741 0.85 CRHR1 (0.60) CRHR1
SCHEMBL4757559 0.85 CRHR1 (0.49) CRHR1
Hydrochloric Acid SCHEMBL4700017 0.84 CRHR1 (0.59) CRHR1
SCHEMBL4702269 0.82 CRHR1 (0.64) CRHR1
SCHEMBL4701262 0.79 CRHR1 (0.49) CRHR1
SCHEMBL4702623 0.79 CRHR1 (0.48) CRHR1
SCHEMBL4698851 0.79 CRHR1 (0.58) CRHR1
SCHEMBL4700161 0.78 CRHR1 (0.51) CRHR1
Trifluoroacetic Acid SCHEMBL4698530 0.78 CRHR1 (0.42) 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-1176956-B1 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-01-09 EP claimed