SCHEMBL4679567

SCHEMBL4679567

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1CC1CCCN1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.55
OPRK1 P41145 3/20 0.55
OPRL1 P41146 3/20 0.55
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 1/20 0.47
PMP22 Q01453 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
SLC18A3 Q16572 1/20 0.46
OPRD1 P41143 1/20 0.46
CALCRL Q16602 1/20 0.46

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
SCHEMBL4679560 1.00 OPRM1 (0.55) OPRM1OPRK1OPRL1ALDH1A1TSHR
SCHEMBL4737483 0.96 OPRM1 (0.53) OPRM1OPRK1OPRL1ALDH1A1TSHR
SCHEMBL27782364 0.83 OPRM1 (0.58) OPRM1OPRK1OPRL1ALDH1A1TSHR
SCHEMBL27804049 0.80 ALDH1A1 (0.58) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL7682877 0.80 OPRM1 (0.57) OPRM1OPRK1OPRL1ALDH1A1TSHR
SCHEMBL4680510 0.80 OPRM1 (0.66) OPRM1OPRK1OPRL1
SCHEMBL3636451 0.80 OPRM1 (0.72) OPRM1OPRK1OPRL1ALDH1A1TSHR
SCHEMBL3751742 0.78 CHRM2 (0.60) OPRM1OPRK1OPRL1ALDH1A1TSHR
SCHEMBL3751747 0.78 CHRM2 (0.60) OPRM1OPRK1OPRL1ALDH1A1TSHR
SCHEMBL1837269 0.78 OPRM1 (0.54) OPRM1OPRK1OPRL1ALDH1A1TSHR

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
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 EP disclosed