SCHEMBL739052

SCHEMBL739052

COCCCn1c(C2CCCN(C(=O)CC(N)CNS(=O)(=O)c3cccc(Cl)c3)C2)nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNH2 Q12809 7/20 0.40
HRH1 P35367 6/20 0.40
CYP2D6 P10635 4/20 0.40
CHRM1 P11229 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGER4 P35408 1/20 0.38
AGTR2 P50052 3/20 0.37
AGTR1 P30556 2/20 0.37
PROKR1 Q8TCW9 1/20 0.36

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
SCHEMBL739050 1.00 DPP4 (0.40) DPP4DPP8DPP9DPP7TP53
SCHEMBL739051 1.00 DPP4 (0.40) DPP4DPP8DPP9DPP7TP53
SCHEMBL741326 0.93 KCNH2 (0.41) DPP4TP53MAPTKCNH2HRH1
SCHEMBL741324 0.93 KCNH2 (0.41) DPP4TP53MAPTKCNH2HRH1
SCHEMBL741325 0.93 KCNH2 (0.41) DPP4TP53MAPTKCNH2HRH1
SCHEMBL739744 0.92 HRH1 (0.45) MAPTKCNH2HRH1CYP2D6CHRM1
SCHEMBL739743 0.92 HRH1 (0.45) MAPTKCNH2HRH1CYP2D6CHRM1
SCHEMBL739745 0.92 HRH1 (0.45) MAPTKCNH2HRH1CYP2D6CHRM1
SCHEMBL740534 0.92 KCNH2 (0.40) TP53SMN1; SMN2KCNH2HRH1CYP2D6
SCHEMBL741653 0.92 L3MBTL1 (0.43) TP53MAPTSMN1; SMN2KCNH2HRH1

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