SCHEMBL2791994

SCHEMBL2791994

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.38
DPP7 Q9UHL4 8/20 0.38
DPP8 Q6V1X1 6/20 0.38
DPP9 Q86TI2 6/20 0.38
NMT1 P30419 3/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
BCL2L11 O43521 1/20 0.34
BCL2 P10415 1/20 0.34
MCL1 Q07820 1/20 0.34
F2 P00734 1/20 0.33
FAP Q12884 1/20 0.33

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
SCHEMBL2790508 0.89 FPR2 (0.34) KDM4EALDH1A1GAABCL2L11BCL2
SCHEMBL2789091 0.88 NMT1 (0.36) DPP4DPP7DPP8DPP9NMT1
SCHEMBL2789311 0.88 DPP4 (0.35) DPP4DPP7DPP8DPP9NMT1
SCHEMBL2791424 0.88 DPP4 (0.35) DPP4DPP7DPP8DPP9NMT1
SCHEMBL2788340 0.87 DPP4 (0.34) DPP4DPP7DPP8DPP9NMT1
SCHEMBL2789653 0.86 NPC1 (0.39) DPP4DPP7DPP8DPP9NMT1
SCHEMBL2812730 0.86 PROKR1 (0.39) DPP4DPP7DPP8DPP9NMT1
SCHEMBL2789378 0.84 PIK3CA (0.33) DPP4DPP7DPP8DPP9NMT1
SCHEMBL2789762 0.78 ITGB1 (0.31) KDM4EALDH1A1GAA
SCHEMBL2791810 0.77 USP30 (0.42)

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