SCHEMBL1836256

SCHEMBL1836256

CCC(C1CN(C(=O)O)CCC1n1c(=O)[nH]c2ccccc21)N(Cc1ccccc1)Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.43
▸ CHRM1 P11229 3/20 0.43
▸ OPRM1 P35372 3/20 0.43
▸ OPRK1 P41145 3/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ PMP22 Q01453 3/20 0.43
▸ MLNR O43193 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ PGR P06401 2/20 0.43
▸ ADRB2 P07550 2/20 0.43
▸ ADRB1 P08588 2/20 0.43
▸ HTR1A P08908 2/20 0.43
▸ ADRA2A P08913 2/20 0.43
▸ DRD2 P14416 2/20 0.43
▸ ADRA2B P18089 2/20 0.43
▸ ADRA2C P18825 2/20 0.43
▸ DRD1 P21728 2/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ SLC6A2 P23975 2/20 0.43
▸ HTR2A P28223 2/20 0.43

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 0.95 CHRM1 (0.44) CHRM2CHRM1OPRM1OPRK1PMP22
SCHEMBL1834990 0.92 OPRM1 (0.46) CHRM2CHRM1OPRM1OPRK1CYP2D6
SCHEMBL1838782 0.90 OPRM1 (0.48) CHRM2CHRM1OPRM1OPRK1DRD2
SCHEMBL1841561 0.90 ALDH1A1 (0.44) CHRM2CHRM1OPRM1OPRK1CYP2D6
SCHEMBL3403282 0.89 OPRM1 (0.40) CHRM2CHRM1OPRM1OPRK1PMP22
SCHEMBL1834569 0.88 CYP3A4 (0.41) CHRM2CHRM1OPRM1OPRK1PMP22
SCHEMBL1835180 0.88 CHRM2 (0.39) CHRM2CHRM1OPRM1OPRK1PMP22
SCHEMBL1835799 0.88 OPRM1 (0.47) CHRM2CHRM1OPRM1OPRK1CYP2D6
SCHEMBL1837577 0.88 CHRM2 (0.39) CHRM2CHRM1OPRM1OPRK1PMP22
SCHEMBL1831699 0.88 ALDH1A1 (0.41) CHRM2CHRM1OPRM1OPRK1CYP2D6

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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