SCHEMBL7272822

SCHEMBL7272822

CCOc1cc(-c2ccc(C(=N)N)cc2)ccc1OC[C@@H]1C[C@@H](CC(=O)O)C(=O)N1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.71
ITGA2B P08514 3/20 0.71
F2 P00734 4/20 0.39
F10 P00742 4/20 0.39
PRSS1 P07477 4/20 0.39
F7 P08709 4/20 0.39
PRSS2 P07478 1/20 0.37
F3 P13726 1/20 0.37
PRSS3 P35030 1/20 0.37
IRAK4 Q9NWZ3 8/20 0.37
PPARD Q03181 1/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 1/20 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
SCHEMBL7301919 0.92 ITGB3 (0.72) ITGB3ITGA2BPRSS1IRAK4PDE4A
Hydrochloric Acid SCHEMBL7284581 0.90 ITGB3 (0.58) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7284962 0.87 ITGB3 (0.74) ITGB3ITGA2BF2IRAK4
Fradafiban SCHEMBL380350 0.83 ITGB3 (1.00) ITGB3ITGA2BF2F10PRSS1
Fradafiban SCHEMBL8863359 0.83 ITGB3 (1.00) ITGB3ITGA2BF2F10PRSS1
Hydrochloric Acid SCHEMBL7273087 0.83 ITGB3 (0.59) ITGB3ITGA2BPRSS1IRAK4PDE4A
Fradafiban SCHEMBL7280818 0.83 ITGB3 (0.98) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7272827 0.81 ITGB3 (0.69) ITGB3ITGA2BF2IRAK4
Hydrochloric Acid SCHEMBL7272734 0.79 ITGB3 (0.58) ITGB3ITGA2BF2IRAK4
SCHEMBL7280749 0.78 ITGB3 (0.84) ITGB3ITGA2BF2F10PRSS1

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