SCHEMBL14540967

SCHEMBL14540967

C=C(CC1CCCCC1)Nc1cccc(C(=C2CCNCC2)c2ccc(C(=O)N(CC)CC)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 19/20 0.61
OPRM1 P35372 18/20 0.61
KCNH2 Q12809 2/20 0.58
ABCB11 O95342 1/20 0.58
OPRK1 P41145 7/20 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
SCHEMBL5212671 0.91 OPRD1 (0.63) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL5212289 0.86 OPRD1 (0.66) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL5216436 0.86 OPRD1 (0.63) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL5757468 0.85 OPRD1 (0.69) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL5212356 0.84 OPRD1 (0.65) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL5212842 0.84 OPRD1 (0.65) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL5213772 0.83 OPRD1 (0.66) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL5522849 0.82 OPRD1 (0.74) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL6109824 0.82 OPRD1 (0.78) OPRD1OPRM1KCNH2ABCB11OPRK1
SCHEMBL5215882 0.81 OPRD1 (0.62) 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 disclosed