SCHEMBL1834992

SCHEMBL1834992

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)C(CCCN(Cc2ccccc2)Cc2ccc(Cl)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.46
OPRK1 P41145 2/20 0.41
OPRL1 P41146 1/20 0.41
AVPR1A P37288 1/20 0.41
USP2 O75604 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
PLD2 O14939 1/20 0.40
PLD1 Q13393 1/20 0.40
TSHR P16473 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 2/20 0.39
PMP22 Q01453 2/20 0.39
CHRM1 P11229 1/20 0.39
MEN1 O00255 1/20 0.39
SLC22A2 O15244 1/20 0.39
NR1I2 O75469 1/20 0.39

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
SCHEMBL1835267 0.95 OPRM1 (0.43) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL1835802 0.93 OPRM1 (0.47) OPRM1OPRK1OPRL1AVPR1AUSP2
SCHEMBL1834480 0.92 OPRM1 (0.42) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL1841563 0.92 OPRM1 (0.42) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL1836258 0.92 PLD1 (0.44) OPRM1OPRK1OPRL1AVPR1AUSP2
SCHEMBL1831701 0.90 OPRM1 (0.41) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL1838783 0.90 OPRM1 (0.47) OPRM1OPRK1OPRL1PLD2PLD1
SCHEMBL3403286 0.89 OPRM1 (0.39) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL1837578 0.89 OPRM1 (0.38) OPRM1OPRK1OPRL1PLD2PLD1
SCHEMBL1834570 0.88 CYP3A4 (0.41) OPRM1OPRK1OPRL1BCHEACHE

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