SCHEMBL14543729

SCHEMBL14543729

CCN(CC)C(=O)c1ccc(C(=C2CCN(C(=O)OC(C)(C)C)CC2)c2cccc(C(N)=O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 16/20 0.53
OPRK1 P41145 8/20 0.52
OPRM1 P35372 14/20 0.52
ABCB11 O95342 1/20 0.48
KCNH2 Q12809 1/20 0.48
GPR119 Q8TDV5 1/20 0.48

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
SCHEMBL5441915 0.92 GPR119 (0.55) OPRD1OPRK1OPRM1GPR119
SCHEMBL5367295 0.91 OPRD1 (0.57) OPRD1OPRK1OPRM1ABCB11KCNH2
SCHEMBL5954803 0.90 OPRD1 (0.64) OPRD1OPRK1OPRM1ABCB11KCNH2
SCHEMBL5218154 0.89 OPRD1 (0.59) OPRD1OPRK1OPRM1ABCB11KCNH2
SCHEMBL19598957 0.89 GPR119 (0.48) OPRD1GPR119
SCHEMBL19582851 0.86 PARP14 (0.49) GPR119
SCHEMBL4999880 0.86 OPRD1 (0.54) OPRD1OPRK1OPRM1GPR119
SCHEMBL5215770 0.83 OPRD1 (0.51) OPRD1OPRK1OPRM1ABCB11KCNH2
SCHEMBL1603972 0.82 OPRD1 (0.52) OPRD1OPRK1OPRM1KCNH2GPR119
SCHEMBL5489607 0.81 GPR119 (0.57) OPRD1OPRK1OPRM1GPR119

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
US-7205317-B2 4[piperidin-4-yliden-(3-carbamoylpheny)methyl]benzamide derivatives and their use for the treatment of pain spinal injuries or gastrointestinal disorders ASTRAZENECA AB (SE) 2007-04-17 US disclosed