SCHEMBL7498252

SCHEMBL7498252

CCC(=O)N(c1ccccc1F)C(CCc1ccccc1)C1CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.39
OPRD1 P41143 1/20 0.39
MBTPS1 Q14703 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7498243 0.87 OPRD1 (0.44) OPRM1OPRD1SLC6A2SLC6A4KMT2A
SCHEMBL5871033 0.87 OPRD1 (0.44) OPRM1OPRD1SLC6A2SLC6A4KMT2A
SCHEMBL7503837 0.87 OPRD1 (0.44) OPRM1OPRD1SLC6A2SLC6A4KMT2A
SCHEMBL5870866 0.85 OPRM1 (0.41) OPRM1OPRD1SLC6A2SLC6A4TMEM97
SCHEMBL7501264 0.81 OPRD1 (0.42) OPRM1OPRD1KMT2A
SCHEMBL5871117 0.80 OPRD1 (0.42) OPRM1OPRD1
SCHEMBL5870992 0.80 OPRD1 (0.39) OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL4839293 0.80 OPRM1 (0.40) OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL5870837 0.78 OPRM1 (0.40) OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL7497822 0.78 OPRM1 (0.40) OPRM1OPRD1SLC6A2SLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002069895-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND METHODS OF USE THEREOF SEPRACOR, INC. (US) 2002-09-12 WO disclosed
EP-1187810-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND THEIR USE SEPRACOR, INC. (US) 2002-03-20 EP disclosed
WO-2000071518-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND THEIR USE SEPRACOR, INC. (US) 2000-11-30 WO disclosed