SCHEMBL3397204

SCHEMBL3397204

CC(C1CC(n2c(=O)[nH]c3ccccc32)CCN1C(=O)O)N(Cc1ccccc1)Cc1cccc(OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 10/20 0.47
▸ BCHE P06276 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ HSD11B1 P28845 1/20 0.43
▸ DRD2 P14416 3/20 0.43
▸ CHRM1 P11229 2/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ OPRL1 P41146 3/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ PTGES O14684 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ DRD4 P21917 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ CHRM3 P20309 1/20 0.40

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
SCHEMBL1836434 0.93 OPRM1 (0.49) OPRM1BCHEACHEHSD11B1DRD2
SCHEMBL1834830 0.93 BCHE (0.52) OPRM1BCHEACHEDRD2CHRM1
SCHEMBL1835708 0.92 OPRM1 (0.57) OPRM1BCHEACHEHSD11B1DRD2
SCHEMBL1833680 0.90 OPRM1 (0.51) OPRM1BCHEACHECHRM1OPRL1
SCHEMBL1838939 0.88 OPRM1 (0.47) OPRM1BCHEACHEDRD2CHRM1
SCHEMBL1835996 0.88 OPRM1 (0.54) OPRM1BCHEACHEDRD2CHRM1
SCHEMBL1836056 0.87 OPRM1 (0.55) OPRM1BCHEACHEHSD11B1DRD2
SCHEMBL1839281 0.85 CYP3A4 (0.49) OPRM1BCHEACHEOPRL1OPRK1
SCHEMBL1839221 0.85 OPRM1 (0.53) OPRM1BCHEACHEDRD2KCNH2
SCHEMBL1836588 0.85 OPRM1 (0.51) OPRM1BCHEACHEHSD11B1DRD2

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
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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