SCHEMBL7627435

SCHEMBL7627435

CCCC(CCC)n1nnc2c(Nc3ccc(C(C)C)cc3Br)nc(C)cc21

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 19/20 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
SCHEMBL7534032 0.92 CRHR1 (0.55) CRHR1
SCHEMBL8204559 0.91 CRHR1 (0.50) CRHR1
SCHEMBL7484856 0.86 CRHR1 (0.47) CRHR1
SCHEMBL7484851 0.85 CRHR1 (0.47) CRHR1
SCHEMBL7539837 0.85 CRHR1 (0.55) CRHR1
SCHEMBL7534976 0.83 CRHR1 (0.45) CRHR1
SCHEMBL7483647 0.82 CRHR1 (0.56) CRHR1
SCHEMBL7619210 0.80 CRHR1 (0.58) CRHR1
SCHEMBL7476716 0.79 CRHR1 (0.59) CRHR1
Dimethylamine SCHEMBL7476721 0.78 CRHR1 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448261-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS; TREATING ANXIETY, DEPRESSION, AND OTHER PSYCHIATRIC AND NEUROLOGICAL DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-10 US disclosed
US-6107300-A CORTICOTROPIN RELEASING FACTOR ANTAGONIST; PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS (US) 2000-08-22 US disclosed