SCHEMBL7307274

SCHEMBL7307274

CC(C)(C)OC(=O)CN1CCc2ccc(C(=O)Nc3ccc(C(=N)N)cc3)cc2C1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.60
ITGA2B P08514 6/20 0.60
PLAU P00749 3/20 0.50
ABCB1 P08183 2/20 0.47
ABCG2 Q9UNQ0 2/20 0.47
TMPRSS2 O15393 3/20 0.45
DRD2 P14416 1/20 0.43
NOD1 Q9Y239 2/20 0.43
TNF P01375 1/20 0.43
NOD2 Q9HC29 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7300010 0.94 ITGB3 (0.68) ITGB3ITGA2BPLAUABCB1ABCG2
SCHEMBL7310981 0.88 ITGB3 (0.61) ITGB3ITGA2BPLAUABCB1ABCG2
Hydrochloric Acid SCHEMBL7308159 0.87 ITGB3 (0.60) ITGB3ITGA2BPLAUABCB1ABCG2
SCHEMBL7300982 0.86 KDM4E (0.55) ITGB3ITGA2BABCB1ABCG2DRD2
SCHEMBL7300012 0.86 ITGB3 (0.59) ITGB3ITGA2BPLAUABCB1ABCG2
SCHEMBL7304577 0.85 ITGB3 (0.80) ITGB3ITGA2BPLAUABCB1ABCG2
SCHEMBL7306334 0.84 ITGB3 (0.57) ITGB3ITGA2BPLAUABCB1ABCG2
SCHEMBL7300601 0.84 ITGB3 (0.73) ITGB3ITGA2BPLAUABCB1ABCG2
SCHEMBL7304738 0.82 ITGB3 (0.69) ITGB3ITGA2BPLAUTMPRSS2NOD1
SCHEMBL7300868 0.82 ITGB3 (0.69) ITGB3ITGA2BPLAUABCB1ABCG2

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
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed