SCHEMBL7489686

SCHEMBL7489686

N=C(N)c1ccc(N2CCN(C3CCN(C(C(=O)O)c4ccc(C(F)(F)F)cc4)CC3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.56
ITGA2B P08514 8/20 0.56
ALOX15 P16050 1/20 0.55
F2 P00734 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
TMPRSS6 Q8IU80 2/20 0.43
ST14 Q9Y5Y6 2/20 0.43
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TEAD1 P28347 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL7432861 0.97 ITGB3 (0.53) ITGB3ITGA2BALOX15F2PRSS1
SCHEMBL7444482 0.89 ITGB3 (0.59) ITGB3ITGA2BALOX15F2PRSS1
SCHEMBL7439370 0.89 ITGB3 (0.50) ITGB3ITGA2BALOX15F2PRSS1
Trifluoroacetic Acid SCHEMBL7442158 0.88 ITGB3 (0.56) ITGB3ITGA2BALOX15F2PRSS1
SCHEMBL7432910 0.88 ITGB3 (0.60) ITGB3ITGA2BALOX15F2PRSS1
SCHEMBL7446528 0.88 ITGB3 (0.60) ITGB3ITGA2BALOX15F2PRSS1
SCHEMBL7445913 0.88 ITGB3 (0.62) ITGB3ITGA2BALOX15F2PRSS1
SCHEMBL7441447 0.87 ITGB3 (0.59) ITGB3ITGA2BALOX15F2PRSS1
Hydrochloric Acid SCHEMBL7449100 0.87 ALOX15 (0.61) ITGB3ITGA2BALOX15F2PRSS1
Trifluoroacetic Acid SCHEMBL7439898 0.86 ITGB3 (0.52) ITGB3ITGA2BALOX15F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP claimed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO claimed
EP-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP disclosed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed