SCHEMBL1839221

SCHEMBL1839221

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 15/20 0.53
▸ OPRK1 P41145 3/20 0.48
▸ OPRL1 P41146 2/20 0.48
▸ PLD2 O14939 1/20 0.46
▸ PLD1 Q13393 1/20 0.46
▸ BCHE P06276 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ OPRD1 P41143 1/20 0.44
▸ USP2 O75604 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PMP22 Q01453 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ SLC22A2 O15244 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ GMNN O75496 1/20 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
SCHEMBL1833680 0.95 OPRM1 (0.51) OPRM1OPRK1OPRL1PLD2PLD1
SCHEMBL1835996 0.93 OPRM1 (0.54) OPRM1OPRK1OPRL1PLD2PLD1
SCHEMBL1831375 0.92 OPRM1 (0.52) OPRM1OPRK1OPRL1PLD2PLD1
SCHEMBL1836588 0.92 OPRM1 (0.51) OPRM1OPRK1OPRL1PLD2PLD1
SCHEMBL1836056 0.90 OPRM1 (0.55) OPRM1OPRK1OPRL1PLD2PLD1
SCHEMBL1839281 0.90 CYP3A4 (0.49) OPRM1OPRK1OPRL1PLD2PLD1
SCHEMBL1832067 0.89 OPRM1 (0.45) OPRM1OPRK1OPRL1PLD2PLD1
SCHEMBL1834830 0.89 BCHE (0.52) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL1832410 0.88 HSD11B1 (0.45) OPRM1OPRK1OPRL1PLD2PLD1
SCHEMBL1833973 0.88 OPRM1 (0.46) OPRM1OPRK1OPRL1PLD2PLD1

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
Send feedback