SCHEMBL2790508

SCHEMBL2790508

CC(=O)NCCn1c(C2CCCN(C(=O)C[C@@H](Cc3ccc(Br)cc3)NC(=O)O)C2)cc2c(Cl)cccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
BCL2L11 O43521 1/20 0.33
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
ITGB1 P05556 2/20 0.32
ITGA4 P13612 2/20 0.32
HSD11B1 P28845 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE2A O00408 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCR5 P51681 1/20 0.31
GFER P55789 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
SCHEMBL2791994 0.89 DPP4 (0.38) KDM4EALDH1A1GAABCL2L11BCL2
SCHEMBL2790320 0.88 KDM4E (0.42) FPR2ITGB3ITGA2BKDM4EALDH1A1
SCHEMBL2789762 0.88 ITGB1 (0.31) ITGB3ITGA2BKDM4EALDH1A1GAA
SCHEMBL2789237 0.80 CNR2 (0.37) FPR2ITGB3ITGA2BALDH1A1GAA
SCHEMBL7900939 0.79 TP53 (0.37) ITGB3ITGA2BKDM4EMEN1KMT2A
SCHEMBL2789091 0.78 NMT1 (0.36) KDM4EALDH1A1GAAPDE2AREN
SCHEMBL2791424 0.78 DPP4 (0.35) KDM4EALDH1A1GAAPDE2AREN
SCHEMBL2789311 0.78 DPP4 (0.35) KDM4EALDH1A1GAAPDE2A
SCHEMBL2790530 0.78 GFER (0.39) FPR2ITGB3ITGA2BKDM4EALDH1A1
SCHEMBL2788340 0.77 DPP4 (0.34) KDM4EALDH1A1GAAPDE2A

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
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed