SCHEMBL7306334

SCHEMBL7306334

CCCCOC(=O)CN1CCc2ccc(C(=O)Nc3ccc(C(=N)N)cc3)cc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.57
ITGA2B P08514 5/20 0.57
MAPT P10636 5/20 0.50
PLAU P00749 2/20 0.48
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ABCB1 P08183 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
TMPRSS2 O15393 2/20 0.45
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
TNF P01375 4/20 0.44
NOD1 Q9Y239 4/20 0.44
NOD2 Q9HC29 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL7297428 0.95 ITGB3 (0.65) ITGB3ITGA2BMAPTPLAUTMPRSS2
SCHEMBL7300012 0.95 ITGB3 (0.59) ITGB3ITGA2BMAPTPLAUABCB1
SCHEMBL7310981 0.91 ITGB3 (0.61) ITGB3ITGA2BMAPTPLAUSMN1; SMN2
Hydrochloric Acid SCHEMBL7308159 0.90 ITGB3 (0.60) ITGB3ITGA2BMAPTPLAUSMN1; SMN2
SCHEMBL7299808 0.89 ITGB3 (0.67) ITGB3ITGA2BPLAUTMPRSS2TNF
SCHEMBL7296873 0.85 ITGB3 (0.53) ITGB3ITGA2BMAPTPLAUSMN1; SMN2
SCHEMBL7304738 0.85 ITGB3 (0.69) ITGB3ITGA2BMAPTPLAUSMN1; SMN2
Hydrochloric Acid SCHEMBL7311164 0.84 ITGB3 (0.68) ITGB3ITGA2BMAPTPLAUSMN1; SMN2
SCHEMBL7307274 0.84 ITGB3 (0.60) ITGB3ITGA2BPLAUSMN1; SMN2ABCB1
SCHEMBL7304577 0.83 ITGB3 (0.80) ITGB3ITGA2BPLAUSMN1; SMN2ABCB1

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