SCHEMBL7427261

SCHEMBL7427261

CN1CCN(C(=N)c2ccc(C(=O)Nc3ccc4c(c3)CCN(CC(=O)O)C4)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.73
ITGA2B P08514 8/20 0.73
TMPRSS2 O15393 6/20 0.53
PLAU P00749 2/20 0.52
NOD1 Q9Y239 1/20 0.45
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ABCB1 P08183 1/20 0.44
ABCG2 Q9UNQ0 1/20 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
SCHEMBL7435004 0.96 ITGB3 (0.67) ITGB3ITGA2BTMPRSS2PLAUNOD1
SCHEMBL7432874 0.94 ITGB3 (0.64) ITGB3ITGA2BTMPRSS2PLAUNOD1
SCHEMBL7396048 0.91 ITGB3 (0.74) ITGB3ITGA2BTMPRSS2PLAUNOD1
SCHEMBL7432427 0.90 ITGB3 (0.59) ITGB3ITGA2BTMPRSS2PLAUNOD1
SCHEMBL7393893 0.89 ITGB3 (0.72) ITGB3ITGA2BTMPRSS2PLAUNOD1
SCHEMBL7394224 0.89 ITGB3 (0.72) ITGB3ITGA2BTMPRSS2PLAUNOD1
SCHEMBL7397281 0.87 ITGB3 (0.68) ITGB3ITGA2BTMPRSS2PLAUNOD1
SCHEMBL7396832 0.85 ITGB3 (0.66) ITGB3ITGA2BTMPRSS2PLAUNOD1
SCHEMBL7392173 0.85 ITGB3 (0.66) ITGB3ITGA2BTMPRSS2PLAUNOD1
SCHEMBL7399976 0.85 ITGB3 (0.66) ITGB3ITGA2BTMPRSS2PLAUNOD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760364-B1 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI CHEMICALS INC (JP) 2000-07-19 EP disclosed
EP-0760364-A2 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-03-05 EP disclosed