SCHEMBL7626802

SCHEMBL7626802

COCCNc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 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
SCHEMBL7627436 0.89 CRHR1 (0.89) CRHR1
SCHEMBL7624832 0.87 CRHR1 (1.00) CRHR1
SCHEMBL7622284 0.86 CRHR1 (1.00) CRHR1
SCHEMBL8202273 0.84 CRHR1 (1.00) CRHR1
SCHEMBL7623363 0.83 CRHR1 (0.72) CRHR1
SCHEMBL23625461 0.82 CRHR1 (0.69) CRHR1
SCHEMBL7474752 0.81 CRHR1 (1.00) CRHR1
SCHEMBL8044612 0.81 CRHR1 (1.00) CRHR1
SCHEMBL30079862 0.81 CRHR1 (1.00) CRHR1
SCHEMBL7619639 0.81 CRHR1 (1.00) 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