SCHEMBL7499435

SCHEMBL7499435

O=[C][C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.49
SIGMAR1 Q99720 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
DPP4 P27487 5/20 0.45
DPP8 Q6V1X1 5/20 0.45
DPP9 Q86TI2 2/20 0.45
DPP7 Q9UHL4 2/20 0.45
ACE2 Q9BYF1 1/20 0.44
ECE1 P42892 1/20 0.43
FAP Q12884 1/20 0.43
GPR132 Q9UNW8 4/20 0.42
CMKLR2 P46091 1/20 0.42
CMKLR1 Q99788 1/20 0.42
TACR1 P25103 1/20 0.42
MC4R P32245 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
SCHEMBL7444796 0.90 DPP4 (0.52) ACEDPP4DPP8DPP9DPP7
SCHEMBL7502395 0.88 ACE (0.56) ACEACE2ECE1FAP
SCHEMBL7442239 0.87 ACE (0.62) ACETAAR1ACE2
SCHEMBL7437025 0.81 DPP4 (0.52) ACEDPP4DPP8DPP9DPP7
SCHEMBL9450506 0.78 DPP4 (0.50) ACEDPP4DPP8DPP9DPP7
SCHEMBL7448400 0.77 PREP (0.54) ACEDPP4DPP8DPP9DPP7
SCHEMBL23973837 0.76 ALDH1A1 (0.53) SIGMAR1ECE1GPR132CMKLR2CMKLR1
SCHEMBL7445441 0.75 DPP4 (0.51) ACEDPP4DPP8DPP9DPP7
SCHEMBL7500726 0.74 DPP4 (0.50) ACEDPP4DPP8DPP9DPP7
SCHEMBL7506781 0.74 DPP4 (0.50) ACEDPP4DPP8DPP9DPP7

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