SCHEMBL1834960

SCHEMBL1834960

CCC(C1CN(C(=O)O)CCC1n1c(=O)[nH]c2ccccc21)N(Cc1ccccc1)Cc1cccc(OCc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ BCHE P06276 2/20 0.40
▸ ACHE P22303 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CHRM1 P11229 2/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ EPOR P19235 1/20 0.38
▸ UBE2M P61081 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.38
▸ PTGES O14684 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL1835016 0.93 OPRM1 (0.50) OPRM1HSD11B1BCHEACHEALDH1A1
SCHEMBL1833772 0.93 OPRM1 (0.44) OPRM1HSD11B1BCHEACHEALDH1A1
SCHEMBL1835262 0.90 CHRM1 (0.44) OPRM1HSD11B1BCHEACHEALDH1A1
SCHEMBL1835799 0.88 OPRM1 (0.47) OPRM1HSD11B1ALDH1A1CHRM1CHRM2
SCHEMBL1838782 0.87 OPRM1 (0.48) OPRM1HSD11B1BCHEACHEALDH1A1
SCHEMBL1836256 0.85 CHRM2 (0.43) OPRM1HSD11B1BCHEACHEALDH1A1
SCHEMBL1834990 0.85 OPRM1 (0.46) OPRM1BCHEACHEALDH1A1CHRM1
SCHEMBL1841561 0.85 ALDH1A1 (0.44) OPRM1HSD11B1BCHEACHEALDH1A1
SCHEMBL1835180 0.85 CHRM2 (0.39) OPRM1HSD11B1BCHEACHEALDH1A1
SCHEMBL1832645 0.84 CHRM2 (0.39) OPRM1HSD11B1BCHEACHEALDH1A1

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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