SCHEMBL28097036

SCHEMBL28097036

CNOC1(c2ccccc2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.42
DRD3 P35462 1/20 0.39
OPRM1 P35372 3/20 0.38
OPRK1 P41145 3/20 0.38
OPRL1 P41146 3/20 0.38
OPRD1 P41143 1/20 0.37
DPP4 P27487 1/20 0.34
AKR1C1 Q04828 1/20 0.34

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
SCHEMBL10821867 0.77 OPRM1 (0.56) SLC6A4DRD3OPRM1OPRK1OPRL1
SCHEMBL14899046 0.72 OPRM1 (0.56) SLC6A4DRD3OPRM1OPRK1OPRL1
SCHEMBL10603880 0.72 OPRM1 (0.59) SLC6A4DRD3OPRM1OPRK1OPRL1
SCHEMBL21725626 0.72 OPRM1 (0.40) SLC6A4DRD3OPRM1OPRK1OPRL1
SCHEMBL791817 0.72 SLC6A4 (0.47) SLC6A4OPRM1OPRD1DPP4AKR1C1
SCHEMBL10605630 0.71 DRD3 (0.37) SLC6A4DRD3OPRM1OPRK1OPRL1
SCHEMBL1040539 0.71 OPRM1 (0.54) SLC6A4DRD3OPRM1OPRK1OPRL1
SCHEMBL16024156 0.71 OPRM1 (0.54) SLC6A4DRD3OPRM1OPRK1OPRL1
SCHEMBL1040389 0.71 OPRM1 (0.54) SLC6A4DRD3OPRM1OPRK1OPRL1
SCHEMBL3815508 0.70 SLC6A2 (0.45) SLC6A4DRD3OPRM1OPRD1DPP4

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
CN-104039753-B The compositions of phenylcycloalkyl methylamine derivative, synthesis and using method 雷维瓦药品公司 2016-09-14 CN disclosed