SCHEMBL7273403

SCHEMBL7273403

Cc1c(OC[C@@H]2C[C@@H](CC(=O)O)C(=O)N2)ccc(-c2ccc(CN)cc2)c1C

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
IRAK4 Q9NWZ3 14/20 0.35
CD274 Q9NZQ7 3/20 0.34
FFAR1 O14842 2/20 0.33

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 SCHEMBL7282768 0.90 ITGB3 (0.40) ITGB3ITGA2BIRAK4CD274
SCHEMBL7280863 0.83 ITGB3 (0.61) ITGB3ITGA2BIRAK4FFAR1
SCHEMBL7283786 0.81 ITGB3 (0.73) ITGB3ITGA2BIRAK4FFAR1
SCHEMBL7285473 0.74 ITGB3 (0.62) ITGB3ITGA2BIRAK4FFAR1
SCHEMBL7273790 0.74 ITGB3 (0.70) ITGB3ITGA2BIRAK4FFAR1
SCHEMBL7272827 0.74 ITGB3 (0.69) ITGB3ITGA2BIRAK4
Hydrochloric Acid SCHEMBL7284326 0.73 ITGB3 (0.48) ITGB3ITGA2BIRAK4
Hydrochloric Acid SCHEMBL7281221 0.72 ITGB3 (0.57) ITGB3ITGA2BIRAK4
SCHEMBL7301919 0.70 ITGB3 (0.72) ITGB3ITGA2BIRAK4
SCHEMBL7272822 0.69 ITGB3 (0.71) ITGB3ITGA2BIRAK4

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