SCHEMBL7399576

SCHEMBL7399576

Nc1ccc2c(c1)N[C@@H](CC(=O)O)CCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.57
ITGA2B P08514 3/20 0.57
CA9 Q16790 1/20 0.41
BRD4 O60885 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
ITGB2 P05107 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA5 P08648 1/20 0.39
ITGB5 P18084 1/20 0.39
ITGAL P20701 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRR1 P24046 1/20 0.38
SLC6A1 P30531 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRB2 P47870 1/20 0.38
SLC6A12 P48065 1/20 0.38
SLC6A11 P48066 1/20 0.38
GABRA4 P48169 1/20 0.38

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
SCHEMBL7399575 1.00 ITGB3 (0.57) ITGB3ITGA2BCA9BRD4ATAD2
SCHEMBL2482274 0.82 CA9 (0.45) ITGB3ITGA2BCA9BRD4ATAD2
SCHEMBL3407321 0.74 FFAR1 (0.43) BRD4ATAD2MTNR1AFFAR1
SCHEMBL8233920 0.74 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7393420 0.74 ITGB3 (0.89) ITGB3ITGA2B
SCHEMBL7399438 0.74 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7440690 0.74 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7393424 0.74 ITGB3 (0.89) ITGB3ITGA2B
SCHEMBL15263464 0.74 CA9 (0.41) ITGB3ITGA2BCA9BRD4ATAD2
SCHEMBL4015772 0.72 CA9 (0.47) ITGB3ITGA2BCA9BRD4ATAD2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-6127359-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 US disclosed
US-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 WO disclosed