SCHEMBL7340673

SCHEMBL7340673

N=C(NC(=O)c1ccccc1)c1ccc(N2CCN(C3CCN(CC(=O)OC(=O)C(F)(F)F)CC3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
ALOX15 P16050 1/20 0.49
ALOX5 P09917 1/20 0.40
KDM4E B2RXH2 5/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
HIF1A Q16665 1/20 0.38
HTT P42858 1/20 0.37
CXCR3 P49682 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ESR1 P03372 2/20 0.36
ESRRG P62508 2/20 0.36

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
SCHEMBL7345204 0.89 ITGB3 (0.50) ITGB3ITGA2BALOX15KDM4ETDP1
Trifluoroacetic Acid SCHEMBL7340661 0.88 ITGB3 (0.61) ITGB3ITGA2BALOX15ALOX5KDM4E
SCHEMBL7344004 0.86 ITGB3 (0.52) ITGB3ITGA2BALOX15KDM4ETDP1
SCHEMBL7337962 0.85 ITGB3 (0.68) ITGB3ITGA2BALOX15ALOX5KDM4E
SCHEMBL7310389 0.85 ITGB3 (0.52) ITGB3ITGA2BALOX15KDM4ETDP1
SCHEMBL7340652 0.85 ITGB3 (0.50) ITGB3ITGA2BALOX15KDM4ETDP1
SCHEMBL7336167 0.84 ITGB3 (0.69) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL9368133 0.83 ITGB3 (0.50) ITGB3ITGA2BALOX15KDM4ETDP1
SCHEMBL7313512 0.81 ITGB3 (0.48) ITGB3ITGA2BALOX15KDM4ETDP1
SCHEMBL7307820 0.78 ITGB3 (0.46) ITGB3ITGA2BALOX15KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542363-A2 Piperidineacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-05-19 EP disclosed