SCHEMBL8211399

SCHEMBL8211399

CCN(c1nc(C)nc(-c2ccccc2C(F)(F)F)n1)c1ccc(C(C)C)cc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 19/20 1.00

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
SCHEMBL8210968 0.85 CRHR1 (1.00) CRHR1
SCHEMBL7680486 0.82 CRHR1 (0.85) CRHR1
SCHEMBL8205857 0.78 CRHR1 (0.65) CRHR1
SCHEMBL8211795 0.78 CRHR1 (0.71) CRHR1
SCHEMBL7687026 0.78 CRHR1 (1.00) CRHR1
SCHEMBL7687577 0.78 CRHR1 (0.82) CRHR1
SCHEMBL8213724 0.77 CRHR1 (0.76) CRHR1
SCHEMBL7680436 0.76 CRHR1 (0.69) CRHR1
SCHEMBL7685141 0.75 CRHR1 (0.66) CRHR1
SCHEMBL7678011 0.75 CRHR1 (0.81) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6103737-A Aryl- and arylamino- substituted heterocycles as corticotropin releasing hormone antagonists DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-15 US claimed
US-6103737-A Aryl- and arylamino- substituted heterocycles as corticotropin releasing hormone antagonists DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-15 US disclosed
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