SCHEMBL13636689

SCHEMBL13636689

COC(=O)C(Cc1cccc(C#N)c1)[C@@H](C)NP

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.48
GLA P06280 1/20 0.44
FOLH1 Q04609 1/20 0.44
F10 P00742 9/20 0.42
PRSS1 P07477 7/20 0.42
F2 P00734 1/20 0.42
MAOB P27338 1/20 0.42
MEP1A Q16819 1/20 0.41
MEP1B Q16820 1/20 0.41
PLG P00747 1/20 0.40
CNR1 P21554 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PIN1 Q13526 1/20 0.40
VNN1 O95497 1/20 0.40
TMPRSS2 O15393 1/20 0.39
CACNA1F O60840 1/20 0.39

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
SCHEMBL15607589 0.87 NLRP3 (0.51) NLRP3GLAFOLH1MAOBMEP1A
SCHEMBL12522074 0.85 NLRP3 (0.49) NLRP3GLAFOLH1F10PRSS1
SCHEMBL6643724 0.85 NLRP3 (0.49) NLRP3GLAFOLH1F10PRSS1
SCHEMBL6643721 0.85 NLRP3 (0.49) NLRP3GLAFOLH1F10PRSS1
SCHEMBL5043134 0.82 NLRP3 (0.53) NLRP3GLAFOLH1MAOBMEP1A
SCHEMBL19803700 0.79 NLRP3 (0.53) NLRP3GLAFOLH1MAOBMEP1A
SCHEMBL2822759 0.78 DPP7 (0.52) NLRP3GLAFOLH1MAOBMEP1A
SCHEMBL8954810 0.78 DPP7 (0.52) NLRP3GLAFOLH1MAOBMEP1A
SCHEMBL6164203 0.78 DPP7 (0.52) NLRP3GLAFOLH1MAOBMEP1A
SCHEMBL12521570 0.77 F10 (0.71) F10PRSS1F2PLGTMPRSS2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0931060-B1 SUBSTITUTED N- (AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL PROPYL AMIDES AVENTIS PHARMA INC (US) 2009-11-25 EP disclosed