SCHEMBL1835180

SCHEMBL1835180

CCC(C1CN(C(=O)O)CCC1n1c(=O)[nH]c2ccccc21)N(Cc1ccccc1)Cc1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.39
▸ CHRM1 P11229 2/20 0.39
▸ CHRM3 P20309 2/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ HPGDS O60760 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ OPRL1 P41146 1/20 0.38
▸ CALCRL Q16602 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ PLD1 Q13393 5/20 0.37
▸ PLD2 O14939 4/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL1835262 0.93 CHRM1 (0.44) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL1836256 0.88 CHRM2 (0.43) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL1834990 0.88 OPRM1 (0.46) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL1841561 0.88 ALDH1A1 (0.44) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL1835799 0.88 OPRM1 (0.47) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL1837577 0.88 CHRM2 (0.39) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL1838782 0.87 OPRM1 (0.48) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL1833772 0.86 OPRM1 (0.44) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL1835016 0.86 OPRM1 (0.50) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL1840494 0.86 CALCRL (0.43) CHRM2CHRM1CHRM3CHRM4CHRM5

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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