SCHEMBL7442239

SCHEMBL7442239

O=C(Cc1cccnc1)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.62
ACE2 Q9BYF1 7/20 0.55
LTA4H P09960 5/20 0.54
TSHR P16473 1/20 0.53
TAAR1 Q96RJ0 1/20 0.52

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
SCHEMBL7499435 0.87 ACE (0.49) ACEACE2TAAR1
SCHEMBL14903366 0.86 ACE (0.57) ACEACE2LTA4HTSHRTAAR1
SCHEMBL14903323 0.86 ACE (0.57) ACEACE2LTA4HTSHRTAAR1
SCHEMBL11060360 0.82 LTA4H (0.61) ACEACE2LTA4HTSHR
SCHEMBL18620886 0.82 ACE (0.69) ACEACE2TSHRTAAR1
SCHEMBL20485193 0.82 ACE (0.69) ACEACE2TSHRTAAR1
SCHEMBL8279537 0.81 ACE (0.61) ACEACE2LTA4HTSHR
SCHEMBL14428591 0.81 ACE (0.61) ACEACE2LTA4HTSHR
SCHEMBL8258582 0.81 ACE (0.61) ACEACE2LTA4HTSHR
SCHEMBL14903368 0.81 ACE (0.53) ACEACE2LTA4HTSHRTAAR1

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