SCHEMBL6248563

SCHEMBL6248563

CCN(CC)C(=O)c1ccc(C(c2cccc(NC(=O)O)c2)N2CCN(Cc3ccccn3)CC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 18/20 0.83
KCNH2 Q12809 9/20 0.83
OPRM1 P35372 3/20 0.54
OPRK1 P41145 2/20 0.54

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
SCHEMBL4936844 0.92 OPRD1 (0.70) OPRD1KCNH2OPRM1OPRK1
SCHEMBL12569814 0.92 OPRD1 (0.80) OPRD1KCNH2OPRM1
SCHEMBL12569816 0.92 OPRD1 (0.80) OPRD1KCNH2OPRM1
SCHEMBL1999217 0.92 OPRD1 (0.80) OPRD1KCNH2OPRM1
SCHEMBL2002716 0.88 OPRD1 (0.71) OPRD1KCNH2OPRM1OPRK1
SCHEMBL6266611 0.87 OPRD1 (0.86) OPRD1KCNH2OPRM1OPRK1
SCHEMBL5522686 0.86 OPRD1 (0.65) OPRD1KCNH2OPRM1OPRK1
SCHEMBL5522677 0.86 OPRD1 (0.65) OPRD1KCNH2OPRM1OPRK1
SCHEMBL1998734 0.85 OPRD1 (0.65) OPRD1KCNH2OPRM1OPRK1
SCHEMBL1998738 0.85 OPRD1 (0.65) OPRD1KCNH2OPRM1OPRK1

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
EP-1562924-A1 4(PHENYL-PIPERAZINYL-METHYL) BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN OR GASTROINTESTINAL DISORDERS AstraZeneca AB (SE) 2005-08-17 EP claimed
WO-2004041802-A1 4(PHENYL-PIPERAZINYL-METHYL) BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2004-05-21 WO claimed