SCHEMBL7816969

SCHEMBL7816969

CCc1nc2c(-c3cc(Cl)c(Cl)cc3Cl)cccc2n1C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.40
CDK9 P50750 2/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CYP11B2 P19099 1/20 0.37
TNF P01375 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
LITAF Q99732 1/20 0.34
OPRL1 P41146 1/20 0.33
FPR2 P25090 1/20 0.33

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
SCHEMBL7813827 0.84 CCNT1 (0.45) CCNT1CDK9CRHBPCRHR2OPRL1
SCHEMBL7816959 0.76 CRHBP (0.37) CRHBPCRHR2CYP11B2TNFLITAF
SCHEMBL7813653 0.76
SCHEMBL7819032 0.75 LMNA (0.35)
SCHEMBL7813333 0.75
SCHEMBL7813650 0.74 CYP11B2 (0.31) CCNT1CDK9CYP11B2
SCHEMBL7813559 0.74 TLR8 (0.41)
SCHEMBL14417403 0.69 CYP11B1 (0.46) CCNT1CDK9CRHBPCRHR2CYP11B2
SCHEMBL8004171 0.68
SCHEMBL7813707 0.68

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 5 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
EP-1091941-A1 NOVEL BENZIMIDAZOLES AS CORTICOTROPIN RELEASE FACTOR ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2001-04-18 EP disclosed
US-6124463-A TREATMENT OF AFFECTIVE DISORDER, ANXIETY OR DEPRESSION DUPONT PHARMACEUTICALS (US) 2000-09-26 US disclosed
WO-2000001675-A1 NOVEL BENZIMIDAZOLES AS CORTICOTROPIN RELEASE FACTOR ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-01-13 WO disclosed