SCHEMBL1841365

SCHEMBL1841365

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)C[C@@H]1CCCN(Cc1ccccc1)Cc1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLD2 O14939 1/20 0.45
▸ PLD1 Q13393 1/20 0.45
▸ HSD11B1 P28845 4/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ OPRL1 P41146 1/20 0.42
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ CALCRL Q16602 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ DRD2 P14416 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
SCHEMBL3398856 0.96 PLD2 (0.46) PLD2PLD1HSD11B1OPRM1OPRK1
SCHEMBL1835272 0.89 OPRM1 (0.50) PLD2PLD1OPRM1OPRK1OPRL1
SCHEMBL3403017 0.89 OPRM1 (0.50) PLD2PLD1OPRM1OPRK1OPRL1
SCHEMBL1837901 0.88 CHRM1 (0.49) PLD2PLD1HSD11B1OPRM1OPRK1
SCHEMBL1836672 0.88 OPRM1 (0.44) HSD11B1OPRM1OPRK1OPRL1BCHE
SCHEMBL3666703 0.88 OPRM1 (0.51) PLD2PLD1OPRM1OPRK1OPRL1
SCHEMBL1837876 0.88 OPRM1 (0.50) HSD11B1OPRM1OPRK1OPRL1BCHE
SCHEMBL1838677 0.88 OPRM1 (0.46) HSD11B1OPRM1OPRK1OPRL1BCHE
SCHEMBL1837752 0.87 TNKS (0.51) HSD11B1OPRM1OPRK1OPRL1BCHE
SCHEMBL1839834 0.87 OPRM1 (0.42) HSD11B1OPRM1OPRK1OPRL1BCHE

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