SCHEMBL7335240

SCHEMBL7335240

N=C(N)c1ccc(N2CCN(C3CC[N+](CC(=O)OC(=O)C(F)(F)F)(Cc4ccccc4)CC3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.48
ITGA2B P08514 12/20 0.48
ALOX15 P16050 1/20 0.48
F10 P00742 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.37
F2 P00734 2/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
TMPRSS6 Q8IU80 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ALDH1A1 P00352 1/20 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
Trifluoroacetic Acid SCHEMBL7344121 0.86 ITGB3 (0.45) ITGB3ITGA2BALOX15F10MEN1
Trifluoroacetic Acid SCHEMBL7344123 0.86 ITGB3 (0.45) ITGB3ITGA2BALOX15F10MEN1
Trifluoroacetic Acid SCHEMBL7344130 0.86 ITGB3 (0.45) ITGB3ITGA2BALOX15F10MEN1
Trifluoroacetic Acid SCHEMBL7343395 0.86 ITGB3 (0.52) ITGB3ITGA2BALOX15F10MEN1
Trifluoroacetic Acid SCHEMBL7335231 0.86 ITGB3 (0.52) ITGB3ITGA2BALOX15F10MEN1
Trifluoroacetic Acid SCHEMBL7335228 0.86 ITGB3 (0.52) ITGB3ITGA2BALOX15F10MEN1
SCHEMBL7342371 0.86 ITGB3 (0.50) ITGB3ITGA2BALOX15F10MEN1
SCHEMBL7338472 0.86 ITGB3 (0.50) ITGB3ITGA2BALOX15F10MEN1
SCHEMBL7338468 0.86 ITGB3 (0.50) ITGB3ITGA2BALOX15F10MEN1
SCHEMBL7339223 0.86 ITGB3 (0.51) ITGB3ITGA2BALOX15MEN1KMT2A

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