SCHEMBL7470050

SCHEMBL7470050

CCC(CCOC)n1nnc2c(N3CCc4cc(OC)cc(Cl)c43)nc(C)cc21

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.69

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
SCHEMBL7223062 0.94 CRHR1 (0.63) CRHR1
SCHEMBL7223065 0.94 CRHR1 (0.63) CRHR1
SCHEMBL7217509 0.93 CRHR1 (0.71) CRHR1
SCHEMBL7228466 0.93 CRHR1 (0.71) CRHR1
SCHEMBL7217512 0.93 CRHR1 (0.71) CRHR1
SCHEMBL7224185 0.93 CRHR1 (0.79) CRHR1
SCHEMBL7466837 0.92 CRHR1 (0.71) CRHR1
SCHEMBL7468530 0.92 CRHR1 (0.83) CRHR1
SCHEMBL7463257 0.90 CRHR1 (0.69) CRHR1
SCHEMBL7466454 0.89 CRHR1 (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1012151-B1 HETEROCYCLYL-SUBSTITUTED RING-FUSED PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING HORMONE (CRH) ANTAGONISTS, USEFUL FOR TREATING CNS AND STRESS-RELATED DISORDERS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-08-07 EP claimed