SCHEMBL4414919

SCHEMBL4414919

COc1ccccc1C(CC=O)(c1ccccc1OC)N1CCC(C(c2ccccc2)N2CC(C)NC(C)C2)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.35
▸ CACNA2D1 P54289 6/20 0.33
▸ CACNA1B Q00975 4/20 0.33
▸ CACNB1 Q02641 4/20 0.33
▸ CACNA1C Q13936 3/20 0.33
▸ SLC6A2 P23975 5/20 0.31
▸ SLC6A4 P31645 5/20 0.31
▸ SLC6A3 Q01959 5/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ HTT P42858 3/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL4419615 0.86 OPRD1 (0.39) OPRD1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2796385 0.73 CACNA2D1 (0.53) OPRD1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4426402 0.70 CACNA2D1 (0.51) OPRD1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4563537 0.70 CACNA2D1 (0.43) OPRD1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4565802 0.68 KDM2B (0.36) HTR7
SCHEMBL2795860 0.67 CACNA2D1 (0.67) OPRD1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4414806 0.67 KMT2A (0.43) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL8210362 0.66 CACNA2D1 (0.48) OPRD1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4427087 0.65 SIGMAR1 (0.35) CACNA2D1CACNA1BCACNB1CACNA1CCYP2D6
SCHEMBL8211038 0.65 CACNA2D1 (0.47) OPRD1CACNA2D1CACNA1BCACNB1CACNA1C

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
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