SCHEMBL12658441

SCHEMBL12658441

C[C@@H](COC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)N(CC1=CC=CCC1)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 2/20 0.53
▸ CHRM2 P08172 1/20 0.53
▸ CHRM4 P08173 1/20 0.53
▸ CHRM5 P08912 1/20 0.53
▸ CHRM3 P20309 1/20 0.53
▸ BCHE P06276 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ OPRM1 P35372 4/20 0.45
▸ HSD11B1 P28845 3/20 0.45
▸ OPRK1 P41145 2/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ TACR2 P21452 1/20 0.45
▸ DRD1 P21728 1/20 0.45
▸ DRD5 P21918 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ ADRA1D P25100 1/20 0.45
▸ HTR1B P28222 1/20 0.45
▸ TSPO P30536 1/20 0.45
▸ ADORA1 P30542 1/20 0.45

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
SCHEMBL1834401 0.91 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1834402 0.91 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL30197467 0.91 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1841134 0.88 CHRM1 (0.59) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1841136 0.88 CHRM1 (0.59) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1841132 0.88 CHRM1 (0.59) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1830490 0.86 CHRM1 (0.57) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3747893 0.86 CHRM1 (0.57) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1839826 0.86 CHRM1 (0.57) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3747891 0.86 CHRM1 (0.57) CHRM1CHRM2CHRM4CHRM5CHRM3

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 disclosed
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 disclosed
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