SCHEMBL5233643

SCHEMBL5233643

Cn1c(CNC(=O)O)c(-c2cccc(N)c2)c2cc(Cl)ccc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.59
TACR1 P25103 5/20 0.41
KCNA5 P22460 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPK8 P45983 3/20 0.39
BRD4 O60885 1/20 0.38

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
SCHEMBL5237066 0.90 DPP4 (0.56) DPP4TACR1KCNA5KCNH2MAPK8
SCHEMBL5235258 0.87 DPP4 (0.53) DPP4TACR1KCNA5KCNH2MAPK8
SCHEMBL5237562 0.85 DPP4 (0.52) DPP4
SCHEMBL5237550 0.85 DPP4 (0.52) DPP4
Hydrochloric Acid SCHEMBL5235851 0.84 DPP4 (0.76) DPP4TACR1KCNA5KCNH2BRD4
SCHEMBL5237229 0.83 DPP4 (0.56) DPP4TACR1
SCHEMBL6107274 0.82 DPP4 (0.55) DPP4TACR1KCNA5KCNH2MAPK8
SCHEMBL7174997 0.81 DPP4 (0.54) DPP4TACR1KCNA5KCNH2MAPK8
SCHEMBL5238106 0.80 DPP4 (0.53) DPP4TACR1
SCHEMBL5235007 0.79 DPP4 (0.52) DPP4TACR1KCNA5KCNH2

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
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed