SCHEMBL644654

SCHEMBL644654

[CH2]C1CCC(C(c2ccccc2)N2CCOCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.45
OPRD1 P41143 2/20 0.45
OPRK1 P41145 2/20 0.45
OPRL1 P41146 2/20 0.45
KCNA5 P22460 1/20 0.43
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2C19 P33261 3/20 0.41
GRM5 P41594 1/20 0.40
CACNA2D1 P54289 2/20 0.40
CACNA1B Q00975 2/20 0.40
CACNB1 Q02641 2/20 0.40
CACNA1C Q13936 1/20 0.40
TSHR P16473 2/20 0.39
HIF1A Q16665 1/20 0.38
HSP90AA1 P07900 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL643619 0.86 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL12508473 0.85 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL493481 0.85 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL12508362 0.84 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL493273 0.82 CACNA2D1 (0.57) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL645116 0.82 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL644155 0.81 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL493445 0.81 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL643851 0.81 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL644234 0.78 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1KCNA5

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-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed