SCHEMBL1835016

SCHEMBL1835016

CCC(C1CN(C(=O)O)CCC1n1c(=O)[nH]c2ccccc21)N(Cc1ccccc1)Cc1cccc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.50
▸ HSD11B1 P28845 4/20 0.49
▸ DRD2 P14416 2/20 0.42
▸ DRD4 P21917 2/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ CHRM2 P08172 2/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ CALCRL Q16602 1/20 0.40
▸ OPRD1 P41143 2/20 0.39
▸ OPRL1 P41146 2/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ PLD2 O14939 1/20 0.38
▸ PLD1 Q13393 1/20 0.38

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
SCHEMBL1833772 0.94 OPRM1 (0.44) OPRM1HSD11B1DRD2CHRM2CHRM1
SCHEMBL1838782 0.93 OPRM1 (0.48) OPRM1HSD11B1DRD2DRD4DRD3
SCHEMBL1834960 0.93 OPRM1 (0.41) OPRM1HSD11B1DRD2CHRM2CHRM1
SCHEMBL1835262 0.91 CHRM1 (0.44) OPRM1HSD11B1CHRM2CHRM1CHRM3
SCHEMBL1835799 0.89 OPRM1 (0.47) OPRM1HSD11B1DRD2DRD4CHRM2
SCHEMBL1834990 0.87 OPRM1 (0.46) OPRM1CHRM2CHRM1CHRM3CHRM4
SCHEMBL1836256 0.87 CHRM2 (0.43) OPRM1HSD11B1DRD2DRD4DRD3
SCHEMBL1841561 0.86 ALDH1A1 (0.44) OPRM1HSD11B1CHRM2CHRM1CHRM3
SCHEMBL1835180 0.86 CHRM2 (0.39) OPRM1HSD11B1CHRM2CHRM1CHRM3
SCHEMBL1840494 0.85 CALCRL (0.43) OPRM1HSD11B1DRD2DRD4DRD3

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
EP-2160098-B9 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2011-05-18 — — EP claimed
EP-2160098-B1 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2010-11-10 — — EP claimed
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