SCHEMBL3726211

SCHEMBL3726211

O=C(O)N1CCC(n2cnc3ccccc32)C[C@@H]1CCCN(Cc1ccccc1)Cc1ccccc1.O=C(O)N1CC[C@H](n2c(=S)[nH]c3ccccc32)CC1CCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ OPRM1 P35372 2/20 0.33
▸ OPRL1 P41146 2/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ CCR5 P51681 2/20 0.32
▸ TNKS O95271 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ PARP2 Q9UGN5 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ AKT1 P31749 2/20 0.31
▸ AKT2 P31751 2/20 0.31

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
SCHEMBL1838649 0.89 DRD2 (0.41) FPR2USP2KMT2AALDH1A1DRD2
SCHEMBL1836672 0.84 OPRM1 (0.44) BCHEACHEALDH1A1OPRM1OPRL1
SCHEMBL3724962 0.83 HSD11B1 (0.38) BCHEACHEALDH1A1DRD2OPRM1
SCHEMBL3403017 0.82 OPRM1 (0.50) BCHEACHEALDH1A1DRD2OPRM1
SCHEMBL1835272 0.82 OPRM1 (0.50) BCHEACHEALDH1A1DRD2OPRM1
SCHEMBL4738085 0.79 TNKS (0.42) USP2KMT2AALDH1A1DRD2SLC6A4
SCHEMBL3400388 0.79 TNKS (0.42) BCHEACHEALDH1A1DRD2OPRM1
SCHEMBL1838933 0.79 TNKS (0.42) BCHEACHEALDH1A1DRD2OPRM1
SCHEMBL1832648 0.78 OPRK1 (0.43) BCHEACHEALDH1A1DRD2OPRM1
SCHEMBL1832267 0.78 OPRK1 (0.43) BCHEACHEALDH1A1DRD2OPRM1

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 disclosed
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 disclosed
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