SCHEMBL1832947

SCHEMBL1832947

Cn1c(=O)n(C2CCN(C(=O)O)[C@H](N(Cc3ccccc3)Cc3ccccc3)C2CCCc2ccccc2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 2/20 0.38
▸ CACNA1H O95180 2/20 0.38
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ OPRM1 P35372 2/20 0.35
▸ TNKS O95271 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ SLC18A3 Q16572 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL3721849 0.88 CACNA1G (0.42) CACNA1GCACNA1HKMT2AMEN1ALDH1A1
SCHEMBL1838526 0.87 KDM4E (0.43) ALDH1A1OPRM1TNKSPARP1PARP2
SCHEMBL1838951 0.86 BCHE (0.41) ALDH1A1OPRM1TNKSPARP1PARP2
SCHEMBL4802758 0.86 CACNA1G (0.40) CACNA1GCACNA1HALDH1A1TNKSPARP1
SCHEMBL4681520 0.85 CHRM5 (0.38) CACNA1GCACNA1HKMT2AMEN1ALDH1A1
SCHEMBL1837775 0.83 TNKS (0.44) CACNA1GCACNA1HALDH1A1OPRM1TNKS
SCHEMBL3398324 0.83 OPRK1 (0.43) ALDH1A1OPRM1TNKSPARP1PARP2
SCHEMBL3811734 0.82 SIGMAR1 (0.41) CACNA1GCACNA1HOPRM1
SCHEMBL3795239 0.82 BCHE (0.34) CACNA1GCACNA1HALDH1A1OPRM1TNKS
SCHEMBL4736833 0.78 CACNA1G (0.44) CACNA1GCACNA1HOPRM1CYP3A4

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
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