SCHEMBL1838185

SCHEMBL1838185

COc1ccccc1CN(Cc1ccccc1)C(C)C1CC(n2c(=O)[nH]c3ccccc32)CCN1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 8/20 0.48
▸ OPRL1 P41146 4/20 0.48
▸ DRD2 P14416 2/20 0.47
▸ DRD4 P21917 2/20 0.47
▸ DRD3 P35462 2/20 0.47
▸ HSD11B1 P28845 2/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ PAX8 Q06710 2/20 0.43
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ PLD1 Q13393 2/20 0.42
▸ PLD2 O14939 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL1838939 0.92 OPRM1 (0.47) OPRM1OPRL1DRD2DRD4DRD3
SCHEMBL1833680 0.91 OPRM1 (0.51) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1836056 0.90 OPRM1 (0.55) OPRM1OPRL1DRD2DRD4DRD3
SCHEMBL1836588 0.88 OPRM1 (0.51) OPRM1OPRL1DRD2DRD4DRD3
SCHEMBL1835708 0.88 OPRM1 (0.57) OPRM1OPRL1DRD2DRD4DRD3
SCHEMBL1839281 0.86 CYP3A4 (0.49) OPRM1OPRL1OPRK1PAX8BCHE
SCHEMBL1831375 0.86 OPRM1 (0.52) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1839221 0.86 OPRM1 (0.53) OPRM1OPRL1DRD2DRD3OPRK1
SCHEMBL1836434 0.85 OPRM1 (0.49) OPRM1OPRL1DRD2DRD4DRD3
SCHEMBL1834830 0.85 BCHE (0.52) OPRM1OPRL1DRD2DRD3OPRK1

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