SCHEMBL7340652

SCHEMBL7340652

N=C(NCC(F)(F)F)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
HRH3 Q9Y5N1 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL3 Q96JM7 2/20 0.35
MBTD1 Q05BQ5 1/20 0.35
TP53BP1 Q12888 1/20 0.35
L3MBTL4 Q8NA19 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CXCR3 P49682 2/20 0.34

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 0.87 ITGB3 (0.50) ITGB3ITGA2BALOX15HRH3KMT2A
SCHEMBL7343049 0.87 ITGB3 (0.50) ITGB3ITGA2BALOX15HRH3KMT2A
SCHEMBL7346154 0.87 ITGB3 (0.67) ITGB3ITGA2BALOX15HRH3KMT2A
Trifluoroacetic Acid SCHEMBL7336077 0.86 ITGB3 (0.49) ITGB3ITGA2BALOX15HRH3KMT2A
Trifluoroacetic Acid SCHEMBL7340646 0.86 ITGB3 (0.63) ITGB3ITGA2BALOX15HRH3KMT2A
SCHEMBL7336167 0.86 ITGB3 (0.69) ITGB3ITGA2BALOX15HRH3KMT2A
SCHEMBL9368708 0.85 ITGB3 (0.48) ITGB3ITGA2BALOX15HRH3KMT2A
SCHEMBL7340673 0.85 ITGB3 (0.50) ITGB3ITGA2BALOX15HRH3KMT2A
SCHEMBL7347541 0.74 ITGB3 (0.50) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL7339480 0.74 ITGB3 (0.50) ITGB3ITGA2BALOX15HRH3KDM4E

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