SCHEMBL8021363

SCHEMBL8021363

CC1(NCC(=O)N2[C@H](N)CC[C@@H]2C#N)CCN(c2cc(C(=O)O)ccn2)CC1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.81
DPP8 Q6V1X1 2/20 0.73
DPP9 Q86TI2 2/20 0.73
PIK3CA P42336 1/20 0.40
PREP P48147 4/20 0.39
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL13746843 1.00 DPP4 (0.81) DPP4DPP8DPP9PIK3CAPREP
SCHEMBL8027037 1.00 DPP4 (0.81) DPP4DPP8DPP9PIK3CAPREP
SCHEMBL13550825 1.00 DPP4 (0.81) DPP4DPP8DPP9PIK3CAPREP
SCHEMBL14641775 1.00 DPP4 (0.81) DPP4DPP8DPP9PIK3CAPREP
SCHEMBL2742696 0.94 DPP4 (0.92) DPP4DPP8DPP9PIK3CAPREP
SCHEMBL13287073 0.94 DPP4 (0.92) DPP4DPP8DPP9PIK3CAPREP
SCHEMBL18175266 0.94 DPP4 (0.92) DPP4DPP8DPP9PIK3CAPREP
SCHEMBL13882110 0.94 DPP4 (0.92) DPP4DPP8DPP9PIK3CAPREP
SCHEMBL882339 0.92 DPP4 (0.81) DPP4DPP8DPP9PIK3CAUSP30
SCHEMBL8024223 0.91 DPP4 (0.69) DPP4DPP8DPP9PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009097998-A1 ARYLCHALCOGENO-ARYLALKYL-SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI-AVENTIS (FR) 2009-08-13 WO disclosed