SCHEMBL7435591

SCHEMBL7435591

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.47
DPP8 Q6V1X1 6/20 0.47
DPP9 Q86TI2 2/20 0.47
DPP7 Q9UHL4 2/20 0.47
FAP Q12884 1/20 0.45
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PREP P48147 2/20 0.42
ACE2 Q9BYF1 4/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACE P12821 4/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
F2 P00734 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
SCHEMBL7441085 0.94 DPP4 (0.46) DPP4DPP8DPP9DPP7FAP
SCHEMBL7506781 0.93 DPP4 (0.50) DPP4DPP8DPP9DPP7FAP
SCHEMBL7445441 0.88 DPP4 (0.51) DPP4DPP8DPP9DPP7FAP
SCHEMBL7501594 0.86 DPP4 (0.49) DPP4DPP8DPP9DPP7FAP
SCHEMBL8656290 0.80 ACE (0.56) ACE2ACEF2
SCHEMBL8656288 0.80 ACE (0.56) ACE2ACEF2
SCHEMBL7448400 0.79 PREP (0.54) DPP4DPP8DPP9DPP7FAP
SCHEMBL8654621 0.78 ACE (0.58) ACE2ACE
SCHEMBL8654625 0.78 ACE (0.58) ACE2ACE
SCHEMBL8652940 0.78 ACE (0.58) ACE2ACE

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