SCHEMBL7004422

SCHEMBL7004422

Cn1c(CN)c(-c2ccc(O)cc2)c2cc(Cl)ccc2c1=O

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.77
TACR1 P25103 1/20 0.40
KCNA5 P22460 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
Hydrochloric Acid SCHEMBL5239422 0.99 DPP4 (0.76) DPP4TACR1KCNA5KCNH2
SCHEMBL6110970 0.88 DPP4 (0.77) DPP4TACR1KCNA5KCNH2
SCHEMBL5232770 0.87 DPP4 (1.00) DPP4TACR1KCNA5KCNH2
SCHEMBL7007690 0.87 DPP4 (0.76) DPP4TACR1KCNA5KCNH2
Hydrochloric Acid SCHEMBL5236244 0.86 DPP4 (0.76) DPP4TACR1KCNA5KCNH2
Hydrochloric Acid SCHEMBL5234309 0.86 DPP4 (0.74) DPP4TACR1KCNA5KCNH2
SCHEMBL7006788 0.85 DPP4 (0.74) DPP4KCNA5KCNH2
Hydrochloric Acid SCHEMBL5240250 0.84 DPP4 (0.72) DPP4KCNA5KCNH2
Hydrochloric Acid SCHEMBL5239841 0.83 DPP4 (0.71) DPP4TACR1
SCHEMBL7557740 0.82 DPP4 (0.90) DPP4KCNA5KCNH2

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
EP-1355886-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed
WO-2002062764-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-15 WO disclosed