SCHEMBL13287073

SCHEMBL13287073

CC1(NCC(=O)N2C(C#N)CC[C@H]2C#N)CCN(c2cc(C(=O)O)ccn2)CC1

nearest known ligand 0.92

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.92
DPP8 Q6V1X1 1/20 0.79
DPP9 Q86TI2 1/20 0.79
PIK3CA P42336 1/20 0.43
PREP P48147 3/20 0.42

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
SCHEMBL18175266 1.00 DPP4 (0.92) DPP4DPP8DPP9PIK3CAPREP
SCHEMBL13882110 1.00 DPP4 (0.92) DPP4DPP8DPP9PIK3CAPREP
SCHEMBL2742696 1.00 DPP4 (0.92) DPP4DPP8DPP9PIK3CAPREP
SCHEMBL1040802 0.96 DPP4 (1.00) DPP4DPP8DPP9PIK3CAPREP
SCHEMBL2555136 0.96 DPP4 (1.00) DPP4DPP8DPP9PIK3CAPREP
SCHEMBL646974 0.96 DPP4 (1.00) DPP4DPP8DPP9PIK3CAPREP
SCHEMBL163502 0.96 DPP4 (1.00) DPP4DPP8DPP9PIK3CAPREP
SCHEMBL20162036 0.96 DPP4 (1.00) DPP4DPP8DPP9PIK3CAPREP
SCHEMBL8021363 0.94 DPP4 (0.81) DPP4DPP8DPP9PIK3CAPREP
SCHEMBL14641775 0.94 DPP4 (0.81) DPP4DPP8DPP9PIK3CAPREP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2288607-B1 SULFONAMIDES WITH HETEROCYCLE AND OXADIAZOLONE HEADGROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2014-09-24 EP disclosed
EP-2288605-B1 ANNELATED PYRROLIDIN SULFONAMIDES WITH OXADIAZOLONE HEADGROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2014-06-25 EP disclosed
EP-2288604-B1 ANNELATED N-HETEROCYCLIC SULFONAMIDES WITH OXADIAZOLONE HEADGROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2014-01-08 EP disclosed
WO-2009062619-A1 NEW CRYSTALLINE DIPHENYL ACETIDINONE HYDRATE, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUND AND USE THEREOF SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-22 WO disclosed