SCHEMBL28046119

SCHEMBL28046119

COC1(c2ccc(I)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
ALOX5 P09917 4/20 0.37
APP P05067 3/20 0.32
DRD2 P14416 2/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL1121005 0.86 ALOX5 (0.48) OPRM1OPRD1OPRK1OPRL1ALOX5
SCHEMBL1120960 0.80 ALOX5 (0.44) OPRM1OPRD1OPRK1OPRL1ALOX5
SCHEMBL16979034 0.79 OPRM1 (0.41) OPRM1OPRD1OPRK1OPRL1ALOX5
SCHEMBL3576114 0.77 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1ALOX5
SCHEMBL13876257 0.76 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1ALOX5
SCHEMBL18253218 0.74 HSD11B1 (0.48) OPRM1OPRD1OPRK1OPRL1ALOX5
SCHEMBL5642733 0.74 OPRM1 (0.33) OPRM1
SCHEMBL5644519 0.74 OPRM1 (0.39) OPRM1DRD2DRD4DRD3
SCHEMBL10316602 0.73 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1ALOX5
SCHEMBL3583315 0.72 ALDH1A1 (0.47) OPRM1OPRD1OPRK1OPRL1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458931-A Antibacterial quinazolin-4 (3H) -one derivatives 埃科特莱茵药品有限公司 2017-02-22 CN disclosed
CN-105531264-A Antibacterial 2H-indazole derivatives ACTELION PHARMACEUTICALS LTD 2016-04-27 CN disclosed