SCHEMBL1836056

SCHEMBL1836056

COc1ccc(CN(Cc2ccccc2)C(C)C2CC(n3c(=O)[nH]c4ccccc43)CCN2C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 10/20 0.55
▸ BCHE P06276 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ PAX8 Q06710 2/20 0.49
▸ PLD2 O14939 1/20 0.49
▸ PLD1 Q13393 1/20 0.49
▸ CALCRL Q16602 1/20 0.48
▸ HSD11B1 P28845 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ OPRL1 P41146 3/20 0.45
▸ OPRK1 P41145 2/20 0.45
▸ OPRD1 P41143 2/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ RIN1 Q13671 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44

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) OPRM1BCHEACHEPLD2PLD1
SCHEMBL1835708 0.93 OPRM1 (0.57) OPRM1BCHEACHEPAX8PLD2
SCHEMBL1834830 0.92 BCHE (0.52) OPRM1BCHEACHEPAX8CALCRL
SCHEMBL1839221 0.90 OPRM1 (0.53) OPRM1BCHEACHEPLD2PLD1
SCHEMBL1831375 0.90 OPRM1 (0.52) OPRM1BCHEACHEPLD2PLD1
SCHEMBL1836588 0.90 OPRM1 (0.51) OPRM1BCHEACHEPLD2PLD1
SCHEMBL1838185 0.90 OPRM1 (0.48) OPRM1BCHEACHEPAX8PLD2
SCHEMBL1836434 0.89 OPRM1 (0.49) OPRM1BCHEACHEPLD1HSD11B1
SCHEMBL1839281 0.89 CYP3A4 (0.49) OPRM1BCHEACHEPAX8PLD2
SCHEMBL1832067 0.87 OPRM1 (0.45) OPRM1BCHEACHEPLD2PLD1

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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