SCHEMBL7343554

SCHEMBL7343554

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.51
DPP4 P27487 2/20 0.49
OPRM1 P35372 1/20 0.46
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 0.46
LTA4H P09960 2/20 0.45
ACE2 Q9BYF1 1/20 0.44

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
SCHEMBL7339534 0.86 F2 (0.54) ACEF2PRSS1
SCHEMBL8072498 0.82 ACE (0.57) ACEOPRM1LTA4HACE2
SCHEMBL7155123 0.82 TMPRSS11D (0.47) F2
SCHEMBL7343558 0.81 DPP4 (0.53) DPP4OPRM1F2
SCHEMBL7343548 0.81 DPP4 (0.53) DPP4OPRM1F2
SCHEMBL7154243 0.81 TMPRSS11D (0.50) F2
SCHEMBL7402728 0.80 ACE (0.55) ACEDPP4OPRM1F2PRSS1
SCHEMBL7402735 0.80 ACE (0.55) ACEDPP4OPRM1F2PRSS1
Sulfuric Acid SCHEMBL7270900 0.80 F2 (0.52) ACEOPRM1F2PRSS1ACE2
SCHEMBL31091335 0.80 ACE (0.50) ACELTA4HACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5741792-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed
US-5741799-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed
US-5583146-A Heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US disclosed
EP-0601459-A2 Sulfonamido heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-15 EP disclosed