SCHEMBL7285442

SCHEMBL7285442

N=C(N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)CN3C(=O)CN)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.52
ITGA2B P08514 14/20 0.52
PARP15 Q460N3 2/20 0.37
PARP10 Q53GL7 2/20 0.37
PARP2 Q9UGN5 2/20 0.37
PRSS1 P07477 3/20 0.36
F2 P00734 2/20 0.36

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
SCHEMBL7275741 0.91 ITGB3 (0.55) ITGB3ITGA2BPARP15PARP10PARP2
SCHEMBL7283158 0.89 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL8863339 0.89 ITGB3 (0.53) ITGB3ITGA2BPRSS1
SCHEMBL7276132 0.89 ITGB3 (0.53) ITGB3ITGA2BPRSS1
SCHEMBL8885258 0.89 ITGB3 (0.53) ITGB3ITGA2BPRSS1
Hydrochloric Acid SCHEMBL7281744 0.89 ITGB3 (0.43) ITGB3ITGA2BPARP15PARP10PARP2
SCHEMBL7283387 0.86 ITGB3 (0.51) ITGB3ITGA2BPARP15PARP10PARP2
SCHEMBL7285610 0.85 ITGB3 (0.49) ITGB3ITGA2BPARP15PARP10PARP2
SCHEMBL7283070 0.85 ITGB3 (0.55) ITGB3ITGA2BPARP15PARP10PARP2
SCHEMBL9257815 0.84 ITGB3 (0.45) ITGB3ITGA2B

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