SCHEMBL8212708

SCHEMBL8212708

CCN(c1nc(C)cc(-c2ccccc2C(F)(F)F)n1)C(C)CBr

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 18/20 0.59
CTSK P43235 1/20 0.40
ACP1 P24666 1/20 0.40

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
SCHEMBL8200145 0.79 CRHR1 (0.60) CRHR1CTSK
SCHEMBL8210968 0.74 CRHR1 (1.00) CRHR1
SCHEMBL8209805 0.73 CRHR1 (1.00) CRHR1
SCHEMBL8208451 0.72 CRHR1 (0.64) CRHR1
SCHEMBL8208448 0.70 CRHR1 (1.00) CRHR1
SCHEMBL8204365 0.70 CRHR1 (1.00) CRHR1
SCHEMBL8207754 0.69 CRHR1 (1.00) CRHR1
SCHEMBL8213282 0.69 CRHR1 (1.00) CRHR1
SCHEMBL8208578 0.68 CRHR1 (1.00) CRHR1
SCHEMBL805593 0.68 CRHR1 (0.47) CRHR1CTSKACP1

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-0994860-A1 ARYL-AND ARYLAMINO-SUBSTITUTED HETEROCYCLES AS CORTICOTROPIN RELEASING HORMONE ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2000-04-26 EP disclosed
WO-1999001439-A1 ARYL-AND ARYLAMINO-SUBSTITUTED HETEROCYCLES AS CORTICOTROPIN RELEASING HORMONE ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-01-14 WO disclosed