SCHEMBL643619

SCHEMBL643619

[CH2]C1CCC(C(c2ccccc2)N2CCCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.51
OPRD1 P41143 2/20 0.51
OPRK1 P41145 2/20 0.51
OPRL1 P41146 2/20 0.51
CYP1A2 P05177 5/20 0.47
CYP3A4 P08684 5/20 0.47
CYP2D6 P10635 5/20 0.47
CYP2C19 P33261 5/20 0.47
CYP2C9 P11712 4/20 0.47
KCNA5 P22460 4/20 0.47
KCNH2 Q12809 4/20 0.47
KCNE1 P15382 1/20 0.46
CACNA2D1 P54289 5/20 0.42
CACNA1B Q00975 5/20 0.42
CACNB1 Q02641 5/20 0.42
CACNA1C Q13936 4/20 0.42
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 2/20 0.39

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
SCHEMBL644654 0.86 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL7054929 0.84 OPRM1 (0.63) OPRM1OPRD1OPRK1OPRL1CYP1A2
SCHEMBL493456 0.83 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1CYP1A2
SCHEMBL492900 0.82 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1CYP1A2
SCHEMBL493629 0.80 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1CYP1A2
SCHEMBL645187 0.80 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1CYP1A2
SCHEMBL643012 0.79 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1CYP1A2
SCHEMBL644900 0.78 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1CYP1A2
SCHEMBL644006 0.76 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1CYP1A2
SCHEMBL644070 0.76 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1CYP1A2

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