SCHEMBL7403166

SCHEMBL7403166

N=C(N)c1ccc(-n2ccn(CC(=O)O)c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.45
ITGA2B P08514 16/20 0.45
ALOX15 P16050 1/20 0.43
CPN1 P15169 1/20 0.39
CPB2 Q96IY4 1/20 0.39
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
TMPRSS6 Q8IU80 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
PLG P00747 1/20 0.39
C1S P09871 1/20 0.39

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 SCHEMBL7404704 0.99 ALOX15 (0.44) ITGB3ITGA2BALOX15CPN1CPB2
SCHEMBL7404093 0.86 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7395044 0.84 ITGB3 (0.53) ITGB3ITGA2BST14
SCHEMBL7273726 0.83 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL8543333 0.82 ITGB3 (0.49) ITGB3ITGA2BST14
SCHEMBL8538055 0.81 ITGB3 (0.54) ITGB3ITGA2BF2
Hydrochloric Acid SCHEMBL8573462 0.80 ITGB3 (0.37) ITGB3ITGA2BF2PRSS1
SCHEMBL17907306 0.79 FPR2 (0.39)
SCHEMBL8544627 0.79 ITGB3 (0.56) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7400268 0.79 ITGB3 (0.47) ITGB3ITGA2BF2TMPRSS6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 EP disclosed
EP-0825994-A1 AMIDINE DERIVATIVES USEFUL AS ANTI-PLATELET AGGREGATION INHIBITORS AND VASODILATORS G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed
WO-1996036639-A1 AMIDINE DERIVATIVES USEFUL AS ANTI-PLATELET AGGREGATION INHIBITORS AND VASODILATORS G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed
US-5489594-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-02-06 US disclosed
US-5430043-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-07-04 US disclosed
WO-1995006038-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed