SCHEMBL5211599

SCHEMBL5211599

CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(NC(=O)Cc3sccc3C)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 19/20 0.61
OPRM1 P35372 17/20 0.61
KCNH2 Q12809 4/20 0.58
ABCB11 O95342 1/20 0.58
OPRK1 P41145 6/20 0.57

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
SCHEMBL5213281 0.85 OPRD1 (0.68) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL5212120 0.84 OPRD1 (0.61) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL5522849 0.84 OPRD1 (0.74) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL6109824 0.82 OPRD1 (0.78) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL5216778 0.82 OPRD1 (0.60) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL5213878 0.82 OPRD1 (0.62) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL5213844 0.82 OPRD1 (0.62) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL5213640 0.82 OPRD1 (0.62) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL14417242 0.81 OPRD1 (0.69) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL5212830 0.81 OPRD1 (0.73) OPRD1OPRM1KCNH2ABCB11OPRK1

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