SCHEMBL4417445

SCHEMBL4417445

Cc1ccccc1C(CCN1CCC(C(=O)N2CCN(C)CC2)(c2ccccc2)CC1)c1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.52
HSD11B1 P28845 2/20 0.46
OPRM1 P35372 6/20 0.46
OPRD1 P41143 5/20 0.46
OPRK1 P41145 5/20 0.46
SLC22A1 O15245 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
KCNH2 Q12809 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL2793083 0.85 HSD11B1 (0.46) HSD11B1OPRM1OPRD1OPRK1SLC22A1
SCHEMBL18390864 0.78 HSD11B1 (0.73) HSD11B1OPRM1OPRD1OPRK1SLC22A1
SCHEMBL2790694 0.78 MC4R (0.55) HSD11B1OPRM1OPRD1OPRK1SLC22A1
SCHEMBL18390860 0.76 MEN1 (0.74) HSD11B1OPRM1OPRD1OPRK1SLC22A1
SCHEMBL18390861 0.76 MEN1 (0.69) HSD11B1OPRM1OPRD1OPRK1SLC22A1
SCHEMBL18390061 0.74 MEN1 (0.77) HSD11B1OPRM1OPRD1OPRK1SLC22A1
SCHEMBL3396545 0.73 MC4R (0.55) HSD11B1OPRM1OPRD1OPRK1SLC22A1
SCHEMBL14289421 0.73 HSD11B1 (0.79) HSD11B1OPRM1OPRD1OPRK1SLC22A1
SCHEMBL2790450 0.73 CACNA2D1 (0.55) HSD11B1MEN1KMT2A
SCHEMBL18390066 0.72 ALDH1A1 (0.74) HSD11B1OPRM1OPRD1OPRK1SLC22A1

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-2061780-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2009-05-27 EP claimed
WO-2008031227-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-03-20 WO claimed