SCHEMBL7280863

SCHEMBL7280863

Cc1cc(CN)ccc1-c1ccc(OC[C@@H]2C[C@@H](CC(=O)O)C(=O)N2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.61
ITGA2B P08514 1/20 0.61
FFAR1 O14842 9/20 0.39
PPARD Q03181 3/20 0.36
PPARG P37231 2/20 0.36
NR1H4 Q96RI1 1/20 0.36
IRAK4 Q9NWZ3 4/20 0.35
PPARA Q07869 2/20 0.35
FFAR4 Q5NUL3 4/20 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
Hydrochloric Acid SCHEMBL7284326 0.90 ITGB3 (0.48) ITGB3ITGA2BNR1H4IRAK4FFAR4
SCHEMBL7283786 0.88 ITGB3 (0.73) ITGB3ITGA2BFFAR1PPARDPPARG
SCHEMBL7273403 0.83 ITGB3 (0.51) ITGB3ITGA2BFFAR1IRAK4
SCHEMBL7273790 0.82 ITGB3 (0.70) ITGB3ITGA2BFFAR1PPARDPPARG
SCHEMBL7285473 0.82 ITGB3 (0.62) ITGB3ITGA2BFFAR1PPARDPPARG
Hydrochloric Acid SCHEMBL7281221 0.78 ITGB3 (0.57) ITGB3ITGA2BIRAK4FFAR4
SCHEMBL7284201 0.76 ITGB3 (0.71) ITGB3ITGA2BFFAR1PPARDPPARG
SCHEMBL7283166 0.76 ITGB3 (0.71) ITGB3ITGA2BFFAR1PPARDPPARG
Fradafiban SCHEMBL8863359 0.76 ITGB3 (1.00) ITGB3ITGA2B
Fradafiban SCHEMBL380350 0.76 ITGB3 (1.00) ITGB3ITGA2B

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 3 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
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed