SCHEMBL1835696

SCHEMBL1835696

CC(C1CC(n2c(=O)[nH]c3ccccc32)CCN1C(=O)O)N(Cc1ccccc1)Cc1ccnc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.41
▸ OPRL1 P41146 2/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ TNKS O95271 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ PARP2 Q9UGN5 1/20 0.41
▸ TACR1 P25103 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ RIN1 Q13671 1/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ DRD4 P21917 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ AKT1 P31749 1/20 0.39
▸ AKT2 P31751 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
SCHEMBL1833680 0.89 OPRM1 (0.51) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1839281 0.88 CYP3A4 (0.49) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1836588 0.84 OPRM1 (0.51) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1839221 0.84 OPRM1 (0.53) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1831375 0.84 OPRM1 (0.52) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1838939 0.84 OPRM1 (0.47) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1838185 0.84 OPRM1 (0.48) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1834830 0.83 BCHE (0.52) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1836056 0.83 OPRM1 (0.55) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1832410 0.82 HSD11B1 (0.45) OPRM1OPRL1OPRK1BCHEACHE

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