SCHEMBL3398856

SCHEMBL3398856

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLD2 O14939 3/20 0.46
▸ PLD1 Q13393 2/20 0.46
▸ OPRM1 P35372 5/20 0.43
▸ OPRK1 P41145 4/20 0.43
▸ OPRL1 P41146 3/20 0.43
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD11B1 P28845 1/20 0.40
▸ DRD2 P14416 2/20 0.39
▸ DRD4 P21917 2/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ MLNR O43193 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ ADRB2 P07550 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
SCHEMBL1841365 0.96 PLD2 (0.45) PLD2PLD1OPRM1OPRK1OPRL1
SCHEMBL1835272 0.92 OPRM1 (0.50) PLD2PLD1OPRM1OPRK1OPRL1
SCHEMBL3403017 0.92 OPRM1 (0.50) PLD2PLD1OPRM1OPRK1OPRL1
SCHEMBL1837581 0.89 OPRK1 (0.44) PLD2PLD1OPRM1OPRK1OPRL1
SCHEMBL1834994 0.87 OPRM1 (0.52) PLD2PLD1OPRM1OPRK1OPRL1
SCHEMBL1836260 0.87 OPRK1 (0.50) PLD2PLD1OPRM1OPRK1OPRL1
SCHEMBL3399651 0.87 OPRM1 (0.52) PLD2PLD1OPRM1OPRK1OPRL1
SCHEMBL1838176 0.87 OPRK1 (0.50) PLD2PLD1OPRM1OPRK1OPRL1
SCHEMBL1831703 0.87 OPRM1 (0.47) PLD2PLD1OPRM1OPRK1OPRL1
SCHEMBL3400375 0.87 OPRM1 (0.47) PLD2PLD1OPRM1OPRK1OPRL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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