SCHEMBL7273790

SCHEMBL7273790

NCCc1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.70
ITGA2B P08514 2/20 0.70
PPARD Q03181 6/20 0.39
PPARA Q07869 4/20 0.39
FFAR1 O14842 3/20 0.39
PPARG P37231 2/20 0.39
MAOB P27338 2/20 0.37
FFAR4 Q5NUL3 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7283786 0.91 ITGB3 (0.73) ITGB3ITGA2BPPARDPPARAFFAR1
Hydrochloric Acid SCHEMBL7274849 0.88 ITGB3 (0.55) ITGB3ITGA2BMAOBIRAK4
SCHEMBL7284201 0.83 ITGB3 (0.71) ITGB3ITGA2BPPARDPPARAFFAR1
SCHEMBL7283166 0.83 ITGB3 (0.71) ITGB3ITGA2BPPARDPPARAFFAR1
Fradafiban SCHEMBL8863359 0.83 ITGB3 (1.00) ITGB3ITGA2B
Fradafiban SCHEMBL380350 0.83 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7285473 0.83 ITGB3 (0.62) ITGB3ITGA2BPPARDPPARAFFAR1
SCHEMBL7280863 0.82 ITGB3 (0.61) ITGB3ITGA2BPPARDPPARAFFAR1
Fradafiban SCHEMBL7280818 0.82 ITGB3 (0.98) ITGB3ITGA2B
SCHEMBL6902256 0.81 ITGB3 (0.68) ITGB3ITGA2BPPARDPPARAFFAR1

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