SCHEMBL3798275

SCHEMBL3798275

O=C(O)N1C2CCC1C(CCCN(Cc1ccccc1)Cc1ccccc1)C(n1c(=O)[nH]c3ccccc31)C2.O=C(O)N1CC[C@H](n2c(=O)[nH]c3ccccc32)[C@@H]1CCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.38
▸ OPRK1 P41145 3/20 0.38
▸ OPRL1 P41146 2/20 0.38
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CYP2D6 P10635 2/20 0.34
▸ MLNR O43193 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ DRD2 P14416 1/20 0.34

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
SCHEMBL1837585 0.89 OPRM1 (0.44) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL1839234 0.87 OPRM1 (0.42) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL1844470 0.84 OPRM1 (0.48) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL1839123 0.78 HSD11B1 (0.41) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL3403017 0.77 OPRM1 (0.50) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL1835272 0.77 OPRM1 (0.50) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL3804249 0.75 BCHE (0.37) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL3400121 0.74 OPRK1 (0.46) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL1835267 0.74 OPRM1 (0.43) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL1833681 0.74 OPRM1 (0.52) OPRM1OPRK1OPRL1BCHEACHE

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-A2 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS Commissariat a L'Energie Atomique (FR) 2010-03-10 — — EP claimed
WO-2008146174-A2 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 — — WO claimed
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