SCHEMBL741571

SCHEMBL741571

CC(=O)NCCn1c(C2CCCN(C(=O)CC(N)Cc3ccc(-c4ccc(N)nc4)cc3)C2)nc2c(Cl)cccc21

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.33
DPP7 Q9UHL4 2/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
NMT1 P30419 3/20 0.33
HRH1 P35367 2/20 0.33
CPB1 P15086 1/20 0.33
CYP2D6 P10635 1/20 0.33
BTK Q06187 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
F11 P03951 1/20 0.31
CCR4 P51679 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
GRIN2B Q13224 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
SCHEMBL741570 1.00 DPP4 (0.33) DPP4DPP7DPP8DPP9NMT1
SCHEMBL741102 0.95 NMT1 (0.34) DPP4DPP7DPP8DPP9NMT1
SCHEMBL738711 0.95 NMT1 (0.34) DPP4DPP7DPP8DPP9NMT1
SCHEMBL738853 0.93 DPP4 (0.33) DPP4DPP7DPP8DPP9NMT1
SCHEMBL738801 0.93 DPP4 (0.33) DPP4DPP7DPP8DPP9NMT1
SCHEMBL742197 0.93 CPB1 (0.33) DPP4HRH1CPB1CYP2D6BTK
SCHEMBL742198 0.93 CPB1 (0.33) DPP4HRH1CPB1CYP2D6BTK
SCHEMBL739732 0.89 HRH1 (0.42) HRH1CYP2D6
SCHEMBL739733 0.89 HRH1 (0.42) HRH1CYP2D6
SCHEMBL739453 0.87 MAP3K12 (0.34) DPP4NMT1HRH1CYP2D6BTK

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
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US claimed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed