SCHEMBL8186016

SCHEMBL8186016

CCOC(=O)C1(c2ccc(Cl)cc2)CCN(CCC=C2c3ccccc3CCc3ccccc32)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.60
OPRD1 P41143 4/20 0.52
OPRK1 P41145 4/20 0.52
SLC22A1 O15245 1/20 0.52
SLC6A4 P31645 1/20 0.52
ADRA1A P35348 1/20 0.52
KCNH2 Q12809 1/20 0.52
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
KCNA3 P22001 2/20 0.50

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
SCHEMBL8191292 0.93 OPRM1 (0.58) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL145501 0.92 OPRM1 (0.61) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL7609144 0.86 TET3 (0.46) OPRM1OPRK1SLC6A4ADRA1AKCNH2
Hydrochloric Acid SCHEMBL8191035 0.85 TET3 (0.45) OPRM1OPRK1SLC6A4ADRA1AKCNH2
SCHEMBL5307020 0.81 OPRM1 (0.61) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL7605289 0.81 HRH1 (0.45) OPRM1OPRK1SLC22A1SLC6A4ADRA1A
SCHEMBL10287852 0.80 DRD2 (0.46) OPRM1OPRK1SLC22A1SLC6A4ADRA1A
SCHEMBL652677 0.80 DRD2 (0.54) OPRM1ADRA1ADRD2
Hydrochloric Acid SCHEMBL8186699 0.80 HRH1 (0.45) OPRM1OPRD1OPRK1DRD3
SCHEMBL7603077 0.79 HRH1 (0.46) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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
EP-1047673-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 2000-11-02 EP disclosed
US-6048856-A ANALGESICS; ANTIINFLAMMATORY AGENTS NOVO NORDISK A/S (DK) 2000-04-11 US disclosed
WO-1999031058-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-06-24 WO disclosed