SCHEMBL7621616

SCHEMBL7621616

CCCC(CCC)n1nnc2c(N(CC)c3c(C)cc(C)nc3C)nc(C)nc21

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 18/20 0.47
TSHR P16473 1/20 0.36

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
SCHEMBL7624865 0.96 CRHR1 (0.46) CRHR1TSHR
SCHEMBL7534790 0.86 CRHR1 (0.47) CRHR1
SCHEMBL7590923 0.75 CRHR1 (0.43) CRHR1TSHR
SCHEMBL7474332 0.72 CRHR1 (0.42) CRHR1TSHR
SCHEMBL7625265 0.69 CRHR1 (0.36) CRHR1TSHR
SCHEMBL7486581 0.65 CRHR1 (0.56) CRHR1
SCHEMBL20733330 0.64 CRHR1 (0.48) CRHR1
SCHEMBL7539896 0.63 CRHR1 (0.50) CRHR1
SCHEMBL7625566 0.63 CRHR1 (0.49) CRHR1
SCHEMBL8194048 0.63 CRHR1 (0.52) 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