SCHEMBL3363973

SCHEMBL3363973

COc1cc2c(N)cnc(CNC(=O)OC(C)(C)C)c2cc1OC

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.43
MAPKAPK2 P49137 5/20 0.40
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
CTSL P07711 1/20 0.38
ATM Q13315 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
SCHEMBL3365213 0.85 DPP4 (0.47) DPP4PRMT5WDR77CTSL
SCHEMBL3362437 0.83 DPP4 (0.45) DPP4MAPKAPK2CTSL
SCHEMBL3361880 0.83 DPP4 (0.47) DPP4PRMT5WDR77
SCHEMBL3361992 0.82 DPP4 (0.50) DPP4MAPKAPK2
SCHEMBL3361995 0.82 DPP4 (0.39) DPP4PRMT5WDR77ATM
SCHEMBL3361923 0.81 DPP4 (0.64) DPP4
SCHEMBL3361983 0.80 DPP4 (0.56) DPP4
SCHEMBL3360972 0.79 KMT2A (0.44) DPP4
SCHEMBL3361990 0.79 DPP4 (0.44) DPP4PRMT5WDR77CTSL
SCHEMBL3362189 0.79 DPP4 (0.43) DPP4ATM

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-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed