SCHEMBL2864203

SCHEMBL2864203

COC(=O)C(C)=C1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
OPRM1 P35372 4/20 0.34
OPRD1 P41143 4/20 0.34
CHRM3 P20309 1/20 0.32
OPRK1 P41145 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
SCHEMBL15259645 0.84
SCHEMBL29138431 0.80 ALDH1A1 (0.39) ALDH1A1
SCHEMBL2864246 0.79 GLO1 (0.37) ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL29138432 0.78 SLC6A2 (0.38) ALDH1A1
Hydrochloric Acid SCHEMBL3547234 0.77 ADORA1 (0.38) ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL16967658 0.77 ALDH1A1 (0.36) ALDH1A1
SCHEMBL13751208 0.75 RECQL (0.36) ALDH1A1
SCHEMBL10251315 0.70 ALDH1A1 (0.37) ALDH1A1
SCHEMBL10149342 0.69 KMT2A (0.38) ALDH1A1
SCHEMBL9780092 0.67 CHRM3 (0.42) OPRD1CHRM3

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
WO-2010084507-A2 PROCESS FOR THE PREPARATION OF N-METHYL-2-[3-(1-METHYL-4-PIPERIDYL)-1H-INDOL-5-YL]-ETHANESULFONAMIDE AND ITS ACID ADDITION SALTS SUN PHARMACEUTICAL INDUSTRIES LTD. (IN) 2010-07-29 WO disclosed