SCHEMBL5161148

SCHEMBL5161148

CN(C)C(c1ccccc1)C1CCCCC1(O)c1ccc(Cl)c(O)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.38
OPRM1 P35372 7/20 0.38
SLC6A2 P23975 6/20 0.38
OPRD1 P41143 3/20 0.38
OPRK1 P41145 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
OPRL1 P41146 1/20 0.36
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
SLC6A3 Q01959 9/20 0.36
KDR P35968 1/20 0.36
KCNH2 Q12809 2/20 0.34
SLC22A1 O15245 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL6936278 0.91 SLC6A3 (0.44) SLC6A4OPRM1SLC6A2OPRL1SLC6A9
SCHEMBL5158062 0.85 OPRM1 (0.41) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL6938750 0.84 OPRM1 (0.40) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL5159940 0.84 OPRM1 (0.40) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL6937411 0.83 OPRM1 (0.56) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL6938734 0.83 SLC6A3 (0.46) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL6941375 0.82 OPRM1 (0.41) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL5163165 0.81 OPRM1 (0.44) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL6939344 0.81 OPRL1 (0.45) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL6937026 0.81 OPRM1 (0.40) SLC6A4OPRM1SLC6A2OPRD1OPRK1

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-1406857-B1 SUBSTITUTED 1-ARYL-BUT-3-ENYLAMINE AND 1-ARYL-BUT-2-ENYLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2007-02-21 EP disclosed