SCHEMBL7275747

SCHEMBL7275747

N=C(N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CC(=O)NCc3ccccc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
F2 P00734 17/20 0.44
PRSS1 P07477 2/20 0.42
F7 P08709 5/20 0.42
F3 P13726 5/20 0.42
F10 P00742 1/20 0.40

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
Hydrochloric Acid SCHEMBL7274534 0.92 F2 (0.43) ITGB3ITGA2BF2PRSS1F7
Hydrochloric Acid SCHEMBL7275004 0.87 ITGB3 (0.52) ITGB3ITGA2BF2PRSS1F7
Hydrochloric Acid SCHEMBL7309719 0.87 ITGB3 (0.52) ITGB3ITGA2BF2PRSS1F7
SCHEMBL7276199 0.87 HPGD (0.45) ITGB3
SCHEMBL7275114 0.87 ITGB3 (0.61) ITGB3ITGA2BPRSS1
Water SCHEMBL8882277 0.86 ITGB3 (0.56) ITGB3ITGA2BF2PRSS1F10
Water SCHEMBL8881986 0.84 ITGB3 (0.55) ITGB3ITGA2BF2PRSS1F10
SCHEMBL7282834 0.84 ITGB3 (0.56) ITGB3ITGA2BF2
Hydrochloric Acid SCHEMBL7283263 0.84 ITGB3 (0.58) ITGB3ITGA2BF2PRSS1
SCHEMBL7276387 0.84 ITGB3 (0.54) ITGB3ITGA2BF2PRSS1F10

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