SCHEMBL7307271

SCHEMBL7307271

CCOC(=O)CC1CCc2ccc(NCc3ccc(C(=N)N)cc3)cc2C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.56
ITGA2B P08514 12/20 0.56
F10 P00742 4/20 0.44
PRSS1 P07477 2/20 0.44
F2 P00734 2/20 0.44
F7 P08709 1/20 0.44
MCHR1 Q99705 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7299155 0.87 ITGB3 (0.75) ITGB3ITGA2BMCHR1
SCHEMBL7305419 0.86 ITGB3 (0.74) ITGB3ITGA2BF10PRSS1F2
Hydrochloric Acid SCHEMBL7315353 0.86 ITGB3 (0.74) ITGB3ITGA2BMCHR1
SCHEMBL7308742 0.85 ITGB3 (0.66) ITGB3ITGA2BF10PRSS1F2
SCHEMBL7305927 0.82 ITGB3 (0.63) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL7302786 0.80 ITGB3 (0.65) ITGB3ITGA2BMCHR1
SCHEMBL7311321 0.80 ITGB3 (0.50) ITGB3ITGA2BF10F2
SCHEMBL7301374 0.80 ITGB3 (0.50) ITGB3ITGA2BF10F2
SCHEMBL7303456 0.80 ITGB3 (0.72) ITGB3ITGA2BMCHR1
SCHEMBL7298689 0.79 ITGB3 (0.58) ITGB3ITGA2BMCHR1MAPTNPC1

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