SCHEMBL7448790

SCHEMBL7448790

N=C(N)c1ccc(N2CCN(C3CCN(C(Cc4cccc5ccccc45)C(=O)O)CC3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.55
ITGA2B P08514 10/20 0.55
ALOX15 P16050 1/20 0.54
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
TMPRSS6 Q8IU80 2/20 0.40
ST14 Q9Y5Y6 2/20 0.40
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 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
Trifluoroacetic Acid SCHEMBL7440547 0.95 ITGB3 (0.50) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7435280 0.87 ITGB3 (0.61) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7449640 0.84 ITGB3 (0.57) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7435921 0.83 ITGB3 (0.59) ITGB3ITGA2BALOX15KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7443965 0.83 ITGB3 (0.56) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7446782 0.82 ITGB3 (0.65) ITGB3ITGA2BALOX15KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7437557 0.79 ITGB3 (0.52) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7444753 0.79 KDM4E (0.40) ITGB3ITGA2BALOX15KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7448255 0.79 ITGB3 (0.53) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7440621 0.79 ITGB3 (0.55) 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