SCHEMBL3795239

SCHEMBL3795239

Cn1c(=O)n([C@H]2CCN(C(=O)O)[C@H](N(Cc3ccccc3)Cc3ccccc3)C2CCCc2ccccc2)c2ccccc21.O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)C(CCCCN(Cc2ccccc2)Cc2ccccc2)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CHRM1 P11229 2/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ CALCRL Q16602 2/20 0.31
▸ TNKS O95271 2/20 0.31
▸ PARP1 P09874 2/20 0.31
▸ PARP2 Q9UGN5 2/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ OPRM1 P35372 2/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ OPRL1 P41146 1/20 0.31
▸ PLD2 O14939 1/20 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
SCHEMBL1838951 0.88 BCHE (0.41) BCHEACHEKDM4EALDH1A1PMP22
SCHEMBL1837775 0.88 TNKS (0.44) BCHEACHEKDM4EALDH1A1PMP22
SCHEMBL1838526 0.87 KDM4E (0.43) BCHEACHEKDM4EALDH1A1PMP22
SCHEMBL3798787 0.86 KDM4E (0.42) BCHEACHEKDM4EALDH1A1PMP22
SCHEMBL1841563 0.83 OPRM1 (0.42) BCHEACHEKDM4EALDH1A1PMP22
SCHEMBL1834480 0.83 OPRM1 (0.42) BCHEACHEKDM4EALDH1A1PMP22
SCHEMBL3398324 0.82 OPRK1 (0.43) BCHEACHEKDM4EALDH1A1PMP22
SCHEMBL3398294 0.82 OPRK1 (0.43) BCHEACHEKDM4EALDH1A1PMP22
SCHEMBL1832947 0.82 CACNA1G (0.38) KDM4EALDH1A1TNKSPARP1PARP2
SCHEMBL1838770 0.81 OPRM1 (0.46) BCHEACHEKDM4EALDH1A1PMP22

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 4 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
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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