SCHEMBL8277153

SCHEMBL8277153

NCc1c(-c2ccc(Cl)cc2Cl)ccc2nc[nH]c12

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.64
DPP8 Q6V1X1 6/20 0.64
PARP1 P09874 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL3149261 0.78 DPP4 (1.00) DPP4DPP8CYP3A4
SCHEMBL3149775 0.75 KDM4E (0.45) DPP4DPP8PARP1
SCHEMBL3149686 0.74 DPP4 (0.60) DPP4DPP8CYP3A4
SCHEMBL3149198 0.70 DPP4 (1.00) DPP4DPP8
SCHEMBL3149462 0.70 DPP4 (0.57) DPP4DPP8
SCHEMBL1995841 0.69 DPP4 (0.46) DPP4DPP8CYP3A4
SCHEMBL3145087 0.69 DPP4 (1.00) DPP4DPP8
SCHEMBL2000319 0.68 DPP4 (0.45) DPP4DPP8PARP1
SCHEMBL23841441 0.66 ACP1 (0.35) PARP1
SCHEMBL5174933 0.66 DPP4 (0.69) DPP4DPP8

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
US-7687638-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-03-30 US disclosed
US-7687638-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-03-30 US disclosed
WO-2005118555-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-15 WO disclosed