SCHEMBL5212931

SCHEMBL5212931

CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(NC(=O)c3ccccc3N)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 19/20 0.66
OPRM1 P35372 17/20 0.66
OPRK1 P41145 6/20 0.62
KCNH2 Q12809 3/20 0.61
ABCB11 O95342 1/20 0.61

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
SCHEMBL5212830 0.89 OPRD1 (0.73) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5212926 0.88 OPRD1 (0.71) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5212935 0.85 OPRD1 (0.73) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5760146 0.85 OPRD1 (0.73) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL6109824 0.85 OPRD1 (0.78) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5522849 0.85 OPRD1 (0.74) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5215308 0.84 OPRD1 (0.68) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5212829 0.84 OPRD1 (0.69) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5954830 0.83 OPRD1 (0.72) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5217382 0.83 OPRD1 (0.77) OPRD1OPRM1OPRK1KCNH2ABCB11

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-1567496-B1 PHENYL-PIPERIDIN-4-YLIDENE-METHYL-BENZAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2007-04-11 EP claimed