SCHEMBL7806586

SCHEMBL7806586

CCc1nc2c(-c3c(C)cc(C)cc3C)cccc2n1C1(C)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.38
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL8006443 0.76 CRHR1 (0.40) CRHR1
SCHEMBL7590367 0.74 CRHR1 (0.41) CRHR1
SCHEMBL7806584 0.73 CRHR1 (0.38) CRHR1
SCHEMBL7816959 0.65 CRHBP (0.37) CRHR1
SCHEMBL22855416 0.64 KMT2A (0.38) CRHR1
SCHEMBL29873429 0.64 KMT2A (0.38) CRHR1
SCHEMBL24141262 0.62 KDM4E (0.41) OPRM1OPRD1OPRK1OPRL1
SCHEMBL22833928 0.62 CRHR1 (0.38) CRHR1
SCHEMBL29501666 0.62 CRHR1 (0.38) CRHR1
SCHEMBL22855673 0.61 KMT2A (0.39) CRHR1CNR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091941-A1 NOVEL BENZIMIDAZOLES AS CORTICOTROPIN RELEASE FACTOR ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2001-04-18 EP claimed
WO-2000001675-A1 NOVEL BENZIMIDAZOLES AS CORTICOTROPIN RELEASE FACTOR ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-01-13 WO claimed
US-6124463-A TREATMENT OF AFFECTIVE DISORDER, ANXIETY OR DEPRESSION DUPONT PHARMACEUTICALS (US) 2000-09-26 US disclosed