SCHEMBL10607282

SCHEMBL10607282

CCCOC1(c2ccccc2)CCC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.61
OPRL1 P41146 4/20 0.61
OPRD1 P41143 3/20 0.61
OPRK1 P41145 3/20 0.61
DRD3 P35462 1/20 0.57
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
PRCP P42785 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
DPP4 P27487 1/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 1/20 0.36
NR5A2 O00482 1/20 0.36
NR5A1 Q13285 1/20 0.36

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
SCHEMBL10604555 0.89 DRD3 (0.55) OPRM1OPRL1OPRD1OPRK1DRD3
SCHEMBL10606271 0.88 DRD3 (0.54) OPRM1OPRL1OPRD1OPRK1DRD3
SCHEMBL10604043 0.86 DRD3 (0.52) OPRM1OPRL1OPRD1OPRK1DRD3
SCHEMBL10603880 0.85 OPRM1 (0.59) OPRM1OPRL1OPRD1OPRK1DRD3
SCHEMBL3018551 0.84 OPRM1 (0.57) OPRM1OPRL1OPRD1OPRK1DRD3
SCHEMBL7848116 0.84 OPRM1 (0.57) OPRM1OPRL1OPRD1OPRK1DRD3
SCHEMBL614227 0.83 OPRM1 (0.68) OPRM1OPRL1OPRD1OPRK1DRD3
SCHEMBL19475380 0.82 OPRM1 (0.66) OPRM1OPRL1OPRD1OPRK1DRD3
SCHEMBL24611385 0.81 OPRM1 (0.54) OPRM1OPRL1OPRD1OPRK1DRD3
SCHEMBL15043695 0.79 OPRM1 (0.58) OPRM1OPRL1OPRD1OPRK1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0182872-B1 A PROCESS FOR THE PREPARATION OF CYCLOBUTENE-SUBSTITUTED AROMATIC HYDROCARBONS THE DOW CHEMICAL COMPANY (US) 1989-11-08 EP disclosed
EP-0182872-A4 A PROCESS FOR THE PREPARATION OF CYCLOBUTENE-SUBSTITUTED AROMATIC HYDROCARBONS. DOW CHEMICAL CO (US) 1986-08-21 EP disclosed
EP-0182872-A1 A PROCESS FOR THE PREPARATION OF CYCLOBUTENE-SUBSTITUTED AROMATIC HYDROCARBONS. DOW CHEMICAL CO (US) 1986-06-04 EP disclosed
US-4570011-A PYROLYSIS OF AN ORTHO ALKYL HALOMETHYL AROMATIC HYDROCARBON IN AN INERT THE DOW CHEMICAL COMPANY (US) 1986-02-11 US disclosed
WO-1985005355-A1 A PROCESS FOR THE PREPARATION OF CYCLOBUTENE-SUBSTITUTED AROMATIC HYDROCARBONS THE DOW CHEMICAL COMPANY (US) 1985-12-05 WO disclosed