SCHEMBL7274152

SCHEMBL7274152

N=C(N)c1cccc(-c2ccc(C(=O)NC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.57
ITGA2B P08514 3/20 0.57
F10 P00742 12/20 0.46
PLG P00747 2/20 0.46
PROC P04070 1/20 0.46
PRSS1 P07477 6/20 0.42
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
KLKB1 P03952 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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 SCHEMBL7281472 0.90 ITGB3 (0.48) ITGB3ITGA2BF10PLGPROC
SCHEMBL7282732 0.81 ITGB3 (0.57) ITGB3ITGA2BF10PLGPRSS1
SCHEMBL7275474 0.78 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL7287750 0.76 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL7284924 0.75 ITGB3 (0.57) ITGB3ITGA2BF10PLGPRSS1
SCHEMBL7282733 0.75 LMNA (0.39) ITGB3ITGA2BMEN1KMT2A
SCHEMBL7282749 0.74 TPSAB1 (0.43) ITGB3ITGA2BMEN1KMT2A
Hydrochloric Acid SCHEMBL7272974 0.73 F10 (0.51) ITGB3ITGA2BF10PLGPROC
Fradafiban SCHEMBL8863359 0.73 ITGB3 (1.00) ITGB3ITGA2BF10PLGPRSS1
Fradafiban SCHEMBL380350 0.73 ITGB3 (1.00) ITGB3ITGA2BF10PLGPRSS1

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