SCHEMBL1836588

SCHEMBL1836588

CC(C1CC(n2c(=O)[nH]c3ccccc32)CCN1C(=O)O)N(Cc1ccccc1)Cc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 8/20 0.51
▸ PLD1 Q13393 4/20 0.50
▸ PLD2 O14939 3/20 0.50
▸ OPRK1 P41145 3/20 0.49
▸ HTR1A P08908 3/20 0.49
▸ CHRM1 P11229 3/20 0.49
▸ DRD2 P14416 3/20 0.49
▸ HTR2A P28223 3/20 0.49
▸ DRD3 P35462 3/20 0.49
▸ KCNH2 Q12809 3/20 0.49
▸ MLNR O43193 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ PGR P06401 2/20 0.49
▸ ADRB2 P07550 2/20 0.49
▸ CHRM2 P08172 2/20 0.49
▸ ADRB1 P08588 2/20 0.49
▸ ADRA2A P08913 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ ADRA2B P18089 2/20 0.49
▸ ADRA2C P18825 2/20 0.49

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
SCHEMBL1833680 0.95 OPRM1 (0.51) OPRM1PLD1PLD2OPRK1CHRM1
SCHEMBL1839221 0.92 OPRM1 (0.53) OPRM1PLD1PLD2OPRK1HTR1A
SCHEMBL1831375 0.92 OPRM1 (0.52) OPRM1PLD1PLD2OPRK1KDM4E
SCHEMBL1832410 0.91 HSD11B1 (0.45) OPRM1PLD1PLD2OPRK1HTR1A
SCHEMBL1836056 0.90 OPRM1 (0.55) OPRM1PLD1PLD2OPRK1DRD2
SCHEMBL1839281 0.90 CYP3A4 (0.49) OPRM1PLD1PLD2OPRK1KDM4E
SCHEMBL1832067 0.89 OPRM1 (0.45) OPRM1PLD1PLD2OPRK1CHRM1
SCHEMBL1834830 0.89 BCHE (0.52) OPRM1OPRK1HTR1ACHRM1DRD2
SCHEMBL1838185 0.88 OPRM1 (0.48) OPRM1PLD1PLD2OPRK1DRD2
SCHEMBL1835996 0.88 OPRM1 (0.54) OPRM1PLD1PLD2OPRK1HTR1A

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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