SCHEMBL7445441

SCHEMBL7445441

CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1[C]=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.51
DPP8 Q6V1X1 8/20 0.51
DPP9 Q86TI2 4/20 0.51
DPP7 Q9UHL4 4/20 0.51
FAP Q12884 3/20 0.47
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PREP P48147 2/20 0.45
ACE2 Q9BYF1 5/20 0.44
ACE P12821 5/20 0.43
CMA1 P23946 1/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7506781 0.90 DPP4 (0.50) DPP4DPP8DPP9DPP7FAP
SCHEMBL7501594 0.89 DPP4 (0.49) DPP4DPP8DPP9DPP7FAP
SCHEMBL7435591 0.88 DPP4 (0.47) DPP4DPP8DPP9DPP7FAP
SCHEMBL7441085 0.86 DPP4 (0.46) DPP4DPP8DPP9DPP7FAP
SCHEMBL8378226 0.84 ACE (0.58) ACE2ACE
SCHEMBL6438368 0.84 ACE (0.58) ACE2ACE
SCHEMBL6438372 0.84 ACE (0.58) ACE2ACE
SCHEMBL9450506 0.82 DPP4 (0.50) DPP4DPP8DPP9DPP7FAP
SCHEMBL7444796 0.81 DPP4 (0.52) DPP4DPP8DPP9DPP7FAP
SCHEMBL7437025 0.80 DPP4 (0.52) DPP4DPP8DPP9DPP7FAP

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-0748333-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2000-05-10 EP disclosed
EP-0748333-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1996-12-18 EP disclosed
WO-1995023809-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1995-09-08 WO disclosed