SCHEMBL5161138

SCHEMBL5161138

Cc1ccccc1C1(O)CCCCC1C(c1ccccc1)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.42
OPRL1 P41146 4/20 0.42
SLC6A9 P48067 2/20 0.42
SLC6A5 Q9Y345 1/20 0.42
OPRK1 P41145 4/20 0.40
OPRD1 P41143 3/20 0.40
HDAC4 P56524 1/20 0.35
SLC6A4 P31645 2/20 0.34
KDR P35968 1/20 0.34
SLC6A3 Q01959 1/20 0.34
LMNA P02545 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MEN1 O00255 1/20 0.32
SLC6A2 P23975 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7732583 0.89 OPRM1 (0.38) OPRM1OPRL1SLC6A9SLC6A5OPRK1
SCHEMBL6937453 0.84 SLC6A4 (0.46) OPRM1OPRK1OPRD1SLC6A4KDR
SCHEMBL6937006 0.84 MEN1 (0.34) OPRM1OPRL1SLC6A9SLC6A5OPRK1
SCHEMBL5159940 0.84 OPRM1 (0.40) OPRM1OPRL1SLC6A9SLC6A5OPRK1
SCHEMBL6941375 0.82 OPRM1 (0.41) OPRM1OPRL1SLC6A9SLC6A5OPRK1
SCHEMBL6938750 0.80 OPRM1 (0.40) OPRM1OPRL1SLC6A9SLC6A5OPRK1
SCHEMBL6939122 0.80 TACR1 (0.35) OPRM1OPRL1SLC6A9SLC6A5OPRK1
SCHEMBL5163165 0.80 OPRM1 (0.44) OPRM1OPRL1SLC6A9OPRK1OPRD1
SCHEMBL2357274 0.79 SLC6A4 (0.35) OPRM1OPRL1SLC6A9SLC6A5OPRK1
SCHEMBL6939344 0.79 OPRL1 (0.45) OPRM1OPRL1SLC6A9SLC6A5OPRK1

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