SCHEMBL7341898

SCHEMBL7341898

NN=Cc1ccc(N2CCC(C3CCN(CC(=O)O)CC3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
ALOX15 P16050 1/20 0.46
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
S1PR1 P21453 1/20 0.40
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
RAD52 P43351 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FURIN P09958 1/20 0.39
POLB P06746 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
CA2 P00918 5/20 0.37
CA9 Q16790 5/20 0.37

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
SCHEMBL6839450 0.87 ITGB3 (0.65) ITGB3ITGA2BALOX15ALDH1A1KDM4E
Methane SCHEMBL7337948 0.86 ITGB3 (0.64) ITGB3ITGA2BALOX15ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8431413 0.85 ALOX15 (0.64) ITGB3ITGA2BALOX15ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL7336173 0.81 ITGB3 (0.58) ITGB3ITGA2BALOX15ALDH1A1KDM4E
SCHEMBL7339067 0.80 KDM4E (0.38) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL7346450 0.79 ITGB3 (0.45) ITGB3ITGA2BALOX15ALDH1A1KDM4E
SCHEMBL7346457 0.79 ITGB3 (0.45) ITGB3ITGA2BALOX15ALDH1A1KDM4E
SCHEMBL7338583 0.79 ITGB3 (0.45) ITGB3ITGA2BALOX15S1PR1
SCHEMBL7341889 0.77 ITGB3 (0.76) ITGB3ITGA2BALOX15
SCHEMBL7338370 0.75 ITGB3 (0.45) ITGB3ITGA2BALOX15ALDH1A1KDM4E

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