SCHEMBL7498243

SCHEMBL7498243

CCC(=O)N(c1ccccc1)[C@H](CCc1ccccc1)C1CCCNC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.44
OPRM1 P35372 5/20 0.40
OPRK1 P41145 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
SLC22A1 O15245 1/20 0.40
NR1I2 O75469 1/20 0.40
ABCB1 P08183 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
MAOA P21397 1/20 0.40
DRD4 P21917 1/20 0.40
MAOB P27338 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
ADRA1B P35368 1/20 0.40
DRD3 P35462 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL5871033 1.00 OPRD1 (0.44) OPRD1OPRM1OPRK1SIGMAR1SLC22A1
SCHEMBL7503837 1.00 OPRD1 (0.44) OPRD1OPRM1OPRK1SIGMAR1SLC22A1
SCHEMBL5870866 0.94 OPRM1 (0.41) OPRD1OPRM1OPRK1SIGMAR1SLC22A1
SCHEMBL7501264 0.94 OPRD1 (0.42) OPRD1OPRM1OPRK1SIGMAR1SLC22A1
SCHEMBL5871117 0.93 OPRD1 (0.42) OPRD1OPRM1OPRK1SIGMAR1SLC22A1
SCHEMBL5870992 0.91 OPRD1 (0.39) OPRD1OPRM1OPRK1SIGMAR1SLC22A1
SCHEMBL5871001 0.90 MBTPS1 (0.39) OPRD1CHRM3SLC6A3KCNH2GHSR
SCHEMBL5870950 0.89 OPRD1 (0.41) OPRD1OPRM1OPRK1SIGMAR1SLC22A1
SCHEMBL7504305 0.89 OPRM1 (0.42) OPRD1OPRM1OPRK1SIGMAR1SLC22A1
SCHEMBL7498124 0.89 OPRD1 (0.36) OPRD1OPRM1SLC6A3KCNH2SLC6A2

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 4 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-2001092226-A1 HETEROCYCLIC ANALGESIC COMPOUNDS AND METHOD OF USE THEREOF SEPRACOR, INC. (US) 2001-12-06 WO disclosed
WO-2000071518-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND THEIR USE SEPRACOR, INC. (US) 2000-11-30 WO disclosed