SCHEMBL7439708

SCHEMBL7439708

CC1Nc2cc(C(=O)O)ccc2CN(CCc2ccccc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.53
ITGA2B P08514 19/20 0.53
ITGAV P06756 3/20 0.45

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
SCHEMBL7439712 1.00 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL7439717 1.00 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL6677549 0.85 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL6677554 0.85 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL8398746 0.85 TAAR1 (0.44) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL6951743 0.84 ITGB3 (0.69) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL6951741 0.84 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL7443088 0.81 ITGB3 (0.81) ITGB3ITGA2BITGAV
SCHEMBL7436720 0.81 ITGB3 (0.63) ITGB3ITGA2BITGAV
SCHEMBL7436717 0.81 ITGB3 (0.81) ITGB3ITGA2BITGAV

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
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed