SCHEMBL7300601

SCHEMBL7300601

COC(=O)CN1CCc2ccc(NC(=O)c3ccc(C(=N)N)cc3)cc2C1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.73
ITGA2B P08514 5/20 0.73
PLAU P00749 3/20 0.55
TMPRSS2 O15393 4/20 0.55
ABCB1 P08183 2/20 0.48
ABCG2 Q9UNQ0 2/20 0.48
TNF P01375 1/20 0.48
NOD2 Q9HC29 1/20 0.48
NOD1 Q9Y239 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL7304738 0.91 ITGB3 (0.69) ITGB3ITGA2BPLAUTMPRSS2TNF
SCHEMBL7300868 0.91 ITGB3 (0.69) ITGB3ITGA2BPLAUTMPRSS2ABCB1
SCHEMBL7300010 0.90 ITGB3 (0.68) ITGB3ITGA2BPLAUTMPRSS2ABCB1
Hydrochloric Acid SCHEMBL7311164 0.90 ITGB3 (0.68) ITGB3ITGA2BPLAUTMPRSS2TNF
SCHEMBL7299808 0.89 ITGB3 (0.67) ITGB3ITGA2BPLAUTMPRSS2TNF
SCHEMBL7305449 0.89 ITGB3 (0.92) ITGB3ITGA2BPLAUTMPRSS2
SCHEMBL7297428 0.88 ITGB3 (0.65) ITGB3ITGA2BPLAUTMPRSS2TNF
SCHEMBL7301185 0.88 ITGB3 (0.65) ITGB3ITGA2BPLAUTMPRSS2TNF
Hydrochloric Acid SCHEMBL7320907 0.88 ITGB3 (0.90) ITGB3ITGA2BPLAUTMPRSS2
SCHEMBL7310981 0.85 ITGB3 (0.61) ITGB3ITGA2BPLAUTMPRSS2ABCB1

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