SCHEMBL7449640

SCHEMBL7449640

N=C(N)c1ccc(N2CCN(C3CCN(C(C(=O)O)c4cccc5ccccc45)CC3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.57
ITGA2B P08514 8/20 0.57
ALOX15 P16050 1/20 0.56
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HIF1A Q16665 1/20 0.52
F2 P00734 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
TMPRSS6 Q8IU80 2/20 0.44
ST14 Q9Y5Y6 2/20 0.44
CASR P41180 4/20 0.43
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

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 SCHEMBL7437557 0.94 ITGB3 (0.52) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7450266 0.87 ITGB3 (0.52) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7445913 0.86 ITGB3 (0.62) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7431981 0.86 ITGB3 (0.55) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7440621 0.84 ITGB3 (0.55) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7448790 0.84 ITGB3 (0.55) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7437155 0.83 ITGB3 (0.58) ITGB3ITGA2BALOX15KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7442782 0.82 ALOX15 (0.59) ITGB3ITGA2BALOX15KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7441166 0.82 ITGB3 (0.50) ITGB3ITGA2BALOX15KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7442158 0.81 ITGB3 (0.56) ITGB3ITGA2BALOX15KDM4EALDH1A1

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