SCHEMBL3398375

SCHEMBL3398375

O=C(O)N1CCC(n2c(=O)n(C(=O)c3ccccc3)c3ccccc32)C[C@@H]1CCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.35
CACNA1H O95180 2/20 0.35
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
C5AR1 P21730 2/20 0.32
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
NCOR2 Q9Y618 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
HTR4 Q13639 1/20 0.31
HSD11B1 P28845 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 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
SCHEMBL4730149 0.92 HSD11B1 (0.41) CACNA1GCACNA1HCYP3A4CYP2D6HTR4
SCHEMBL1840373 0.89 CALCRL (0.42)
SCHEMBL4737981 0.88 CACNA1G (0.33) CACNA1GCACNA1HCYP3A4CYP2D6HSD11B1
SCHEMBL4675598 0.86 CYP3A4 (0.40) CACNA1GCACNA1HDPP8DPP9DPP7
SCHEMBL1842968 0.86 CALCRL (0.44)
SCHEMBL3799876 0.86 HSD11B1 (0.41) HSD11B1BCHEACHE
SCHEMBL1836864 0.85 OPRM1 (0.35) HSD11B1BCHEACHE
SCHEMBL3665332 0.83 POLB (0.35) CACNA1GCACNA1HDPP8DPP9DPP7
SCHEMBL3665336 0.83 CHRM5 (0.36) CACNA1GCACNA1HDPP8DPP9DPP7
SCHEMBL4674540 0.82 HTR4 (0.36) CACNA1GCACNA1HC5AR1HTR4HSD11B1

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-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
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 EP disclosed