SCHEMBL1832410

SCHEMBL1832410

CC(C1CC(n2c(=O)[nH]c3ccccc32)CCN1C(=O)O)N(Cc1ccccc1)Cc1c(F)cccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.45
▸ OPRM1 P35372 8/20 0.44
▸ OPRL1 P41146 4/20 0.44
▸ OPRK1 P41145 2/20 0.44
▸ PLD1 Q13393 6/20 0.43
▸ PLD2 O14939 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ MLNR O43193 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA2A P08913 1/20 0.41

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 0.93 OPRM1 (0.51) OPRM1OPRL1OPRK1PLD1PLD2
SCHEMBL1836588 0.91 OPRM1 (0.51) HSD11B1OPRM1OPRL1OPRK1PLD1
SCHEMBL1839221 0.88 OPRM1 (0.53) OPRM1OPRL1OPRK1PLD1PLD2
SCHEMBL1839281 0.88 CYP3A4 (0.49) OPRM1OPRL1OPRK1PLD1PLD2
SCHEMBL1831375 0.88 OPRM1 (0.52) OPRM1OPRL1OPRK1PLD1PLD2
SCHEMBL1835996 0.87 OPRM1 (0.54) OPRM1OPRL1OPRK1PLD1PLD2
SCHEMBL1836434 0.87 OPRM1 (0.49) HSD11B1OPRM1OPRL1OPRK1PLD1
SCHEMBL1836056 0.86 OPRM1 (0.55) HSD11B1OPRM1OPRL1OPRK1PLD1
SCHEMBL1835708 0.86 OPRM1 (0.57) HSD11B1OPRM1OPRL1OPRK1PLD1
SCHEMBL1833973 0.85 OPRM1 (0.46) OPRM1OPRL1OPRK1PLD1PLD2

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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