SCHEMBL7281127

SCHEMBL7281127

N=C(N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CC(=O)N3CCCC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.55
ITGA2B P08514 13/20 0.55
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
F10 P00742 1/20 0.37
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35

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
SCHEMBL7273817 0.99 ITGB3 (0.54) ITGB3ITGA2BLMNAALDH1A1TPSAB1
SCHEMBL7281817 0.92 ITGB3 (0.54) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL7284350 0.92 ITGB3 (0.52) ITGB3ITGA2BALDH1A1F10
SCHEMBL7274168 0.92 ITGB3 (0.52) ITGB3ITGA2BALDH1A1
SCHEMBL7282096 0.92 ITGB3 (0.52) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL7285404 0.92 ITGB3 (0.52) ITGB3ITGA2BLMNAALDH1A1
SCHEMBL8882761 0.91 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL7275114 0.90 ITGB3 (0.61) ITGB3ITGA2BPRSS1
Hydrochloric Acid SCHEMBL7280862 0.90 ITGB3 (0.43) ITGB3ITGA2BLMNAALDH1A1TPSAB1
SCHEMBL7272798 0.89 ITGB3 (0.49) ITGB3ITGA2BLMNAALDH1A1F10

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