SCHEMBL7005643

SCHEMBL7005643

CC(C)Cn1c(CN)c(-c2ccccc2F)c2cc(O)ccc2c1=O

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.73

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 SCHEMBL5236716 0.99 DPP4 (0.74) DPP4
Hydrochloric Acid SCHEMBL5236442 0.86 DPP4 (0.76) DPP4
Hydrochloric Acid SCHEMBL5237140 0.86 DPP4 (0.75) DPP4
SCHEMBL5236416 0.85 DPP4 (0.56) DPP4
Hydrochloric Acid SCHEMBL5237730 0.84 DPP4 (0.62) DPP4
Hydrochloric Acid SCHEMBL5232795 0.84 DPP4 (0.75) DPP4
Hydrochloric Acid SCHEMBL5232469 0.83 DPP4 (0.61) DPP4
SCHEMBL5237095 0.83 DPP4 (0.75) DPP4
SCHEMBL6107339 0.82 DPP4 (0.52) DPP4
Hydrochloric Acid SCHEMBL5232598 0.82 DPP4 (0.80) DPP4

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
EP-1355886-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed
WO-2002062764-A9 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-10 WO disclosed
WO-2002062764-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-15 WO disclosed