SCHEMBL7273299

SCHEMBL7273299

C[S+]([O-])CCCN1C(=O)[C@H](CC(=O)O)C[C@H]1COc1ccc(-c2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.52
ITGA2B P08514 11/20 0.52
LTA4H P09960 1/20 0.33
PPARD Q03181 1/20 0.33
PRSS1 P07477 1/20 0.32
TMPRSS2 O15393 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP2 Q9UGN5 1/20 0.32

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
SCHEMBL7275442 0.92 ITGB3 (0.43) ITGB3ITGA2BPRSS1TMPRSS2HRH3
SCHEMBL7283093 0.86 ITGB3 (0.54) ITGB3ITGA2BPRSS1TMPRSS2HRH3
SCHEMBL7273096 0.86 ITGB3 (0.51) ITGB3ITGA2BPPARDPRSS1
SCHEMBL7272750 0.86 ITGB3 (0.59) ITGB3ITGA2BPRSS1TMPRSS2
SCHEMBL7275930 0.86 ITGB3 (0.59) ITGB3ITGA2BPRSS1TMPRSS2
SCHEMBL7273000 0.85 ITGB3 (0.53) ITGB3ITGA2BPPARDPRSS1TMPRSS2
SCHEMBL7275215 0.85 ITGB3 (0.56) ITGB3ITGA2BPRSS1TMPRSS2
SCHEMBL7273468 0.84 ITGB3 (0.54) ITGB3ITGA2BPRSS1
SCHEMBL7276387 0.84 ITGB3 (0.54) ITGB3ITGA2BPRSS1
Water SCHEMBL8881880 0.84 ITGB3 (0.56) ITGB3ITGA2BPPARDPRSS1TMPRSS2

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
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed