SCHEMBL7438467

SCHEMBL7438467

CN1c2cc(C=Cc3ccc(C#N)cc3)ccc2CN(CCc2ccccc2)C(=O)C1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.49
ITGA2B P08514 15/20 0.49
L3MBTL1 Q9Y468 1/20 0.41
SNCA P37840 1/20 0.38
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NAMPT P43490 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL7433639 0.87 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL6949949 0.81 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7442287 0.79 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7438453 0.78 ITGB3 (0.59) ITGB3ITGA2BL3MBTL1HDAC1
SCHEMBL7438459 0.78 ITGB3 (0.59) ITGB3ITGA2BL3MBTL1HDAC1
SCHEMBL7397564 0.75 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7397566 0.75 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7338319 0.71 PARP1 (0.44) ITGB3ITGA2B
SCHEMBL6949734 0.71 ITGB3 (0.73) ITGB3ITGA2B
SCHEMBL6949739 0.71 ITGB3 (0.73) 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
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