SCHEMBL7817047

SCHEMBL7817047

CCC(CC)n1c(OC)nc2c(-c3cc(Cl)c(Cl)cc3Cl)cccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.37
CRHR1 P34998 1/20 0.34
PDE2A O00408 1/20 0.34
PDE6D O43924 1/20 0.34
PDE6A P16499 1/20 0.34
PDE6G P18545 1/20 0.34
PDE4A P27815 1/20 0.34
PDE6B P35913 1/20 0.34
PDE6C P51160 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE6H Q13956 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL8009463 0.86
SCHEMBL7813333 0.84
SCHEMBL7818926 0.81 PDCD1LG2 (0.34) NQO2CRHR1
SCHEMBL7816869 0.73
SCHEMBL7036921 0.73 CRHR1 (0.41) CRHR1
SCHEMBL7036004 0.71
SCHEMBL7033723 0.70 EGLN2 (0.37)
SCHEMBL7818929 0.70 PDCD1 (0.31) NQO2CRHR1
SCHEMBL7035181 0.69 KMT2A (0.37)
SCHEMBL7036819 0.69

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