Sugi Predict

Sugi Predict / Compounds / SCHEMBL8399640

SCHEMBL8399640

SCHEMBL8399640

CN(C(=O)N1c2ccccc2CN(CCc2ccccc2)C(=O)C1CC(=O)O)c1ccc(C=NN)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 17/20 0.45
▸ ITGA2B P08514 16/20 0.45
▸ PARP1 P09874 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ ITGAV P06756 2/20 0.34
▸ XIAP P98170 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
SCHEMBL6678145 0.84 ITGB3 (0.43) ITGB3ITGA2BPARP1PARP2ITGAV
SCHEMBL7403508 0.78 ITGB3 (0.43) ITGB3ITGA2BPARP1PARP2ITGAV
SCHEMBL7338319 0.78 PARP1 (0.44) ITGB3ITGA2BPARP1PARP2ITGAV
SCHEMBL6947653 0.76 ITGB3 (0.78) ITGB3ITGA2BITGAV
SCHEMBL6953198 0.75 ITGB3 (0.78) ITGB3ITGA2BITGAV
SCHEMBL7399604 0.72 ITGB3 (0.52) ITGB3ITGA2BITGAV
SCHEMBL7595704 0.72 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL7433639 0.71 ITGB3 (0.49) ITGB3ITGA2BITGAV
SCHEMBL7441028 0.70 ITGB3 (0.45) ITGB3ITGA2BPARP1PARP2ITGAV
SCHEMBL7437522 0.70 ITGB3 (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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