SCHEMBL2789653

SCHEMBL2789653

CC(=O)NCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccc(N5CCNC5=O)cc4)cc3)C2)cc2c(Cl)cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DPP4 P27487 7/20 0.33
DPP7 Q9UHL4 5/20 0.33
DPP8 Q6V1X1 4/20 0.33
DPP9 Q86TI2 4/20 0.33
NMT1 P30419 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA5 P08648 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB5 P18084 1/20 0.33
ITGB8 P26012 1/20 0.33
DRD2 P14416 1/20 0.32
HTR2C P28335 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL2789311 0.87 DPP4 (0.35) DPP4DPP7DPP8DPP9NMT1
SCHEMBL2789091 0.87 NMT1 (0.36) DPP4DPP7DPP8DPP9NMT1
SCHEMBL2791994 0.86 DPP4 (0.38) DPP4DPP7DPP8DPP9NMT1
SCHEMBL2788340 0.86 DPP4 (0.34) DPP4DPP7DPP8DPP9NMT1
SCHEMBL2791424 0.86 DPP4 (0.35) DPP4DPP7DPP8DPP9NMT1
SCHEMBL2789378 0.83 PIK3CA (0.33) DPP4DPP7DPP8DPP9NMT1
SCHEMBL741275 0.83 HRH1 (0.41) NPC1RAB9AHRH1ALDH1A1
SCHEMBL741274 0.83 HRH1 (0.41) NPC1RAB9AHRH1ALDH1A1
SCHEMBL2790508 0.76 FPR2 (0.34) MEN1KMT2AITGB3ITGB1ITGA4
SCHEMBL2792427 0.75 CNR2 (0.36) KMT2ADPP4DPP7DPP8DPP9

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

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