SCHEMBL7304738

SCHEMBL7304738

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

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.69
ITGA2B P08514 5/20 0.69
PLAU P00749 3/20 0.55
TMPRSS2 O15393 4/20 0.52
NOD1 Q9Y239 4/20 0.51
TNF P01375 3/20 0.51
MEN1 O00255 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 2/20 0.51
NOD2 Q9HC29 2/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
Hydrochloric Acid SCHEMBL7311164 0.99 ITGB3 (0.68) ITGB3ITGA2BPLAUTMPRSS2NOD1
SCHEMBL7310981 0.94 ITGB3 (0.61) ITGB3ITGA2BPLAUTMPRSS2NOD1
Hydrochloric Acid SCHEMBL7308159 0.93 ITGB3 (0.60) ITGB3ITGA2BPLAUTMPRSS2NOD1
SCHEMBL7297076 0.93 ITGB3 (0.60) ITGB3ITGA2BPLAUTMPRSS2NOD1
SCHEMBL7299808 0.93 ITGB3 (0.67) ITGB3ITGA2BPLAUTMPRSS2NOD1
SCHEMBL7300601 0.91 ITGB3 (0.73) ITGB3ITGA2BPLAUTMPRSS2NOD1
SCHEMBL7297428 0.91 ITGB3 (0.65) ITGB3ITGA2BPLAUTMPRSS2NOD1
SCHEMBL7296873 0.89 ITGB3 (0.53) ITGB3ITGA2BPLAUTMPRSS2NOD1
SCHEMBL7300868 0.89 ITGB3 (0.69) ITGB3ITGA2BPLAUTMPRSS2
SCHEMBL7300010 0.88 ITGB3 (0.68) ITGB3ITGA2BPLAUTMPRSS2

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