SCHEMBL7337516

SCHEMBL7337516

CCOC(=O)NC(=N)c1ccc(N2CCN(C3CCN(CC(=O)O)CC3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.64
ITGA2B P08514 1/20 0.64
ALOX15 P16050 1/20 0.63
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 5/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
S1PR1 P21453 1/20 0.40
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.38
MBTD1 Q05BQ5 1/20 0.38
TP53BP1 Q12888 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
SCHEMBL7334894 0.92 ITGB3 (0.69) ITGB3ITGA2BALOX15KMT2AALDH1A1
SCHEMBL7341525 0.88 ITGB3 (0.49) ITGB3ITGA2BALOX15KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL7345194 0.87 ITGB3 (0.62) ITGB3ITGA2BALOX15KMT2AALDH1A1
SCHEMBL7310389 0.83 ITGB3 (0.52) ITGB3ITGA2BALOX15KMT2AALDH1A1
SCHEMBL7337962 0.83 ITGB3 (0.68) ITGB3ITGA2BALOX15KMT2AALDH1A1
SCHEMBL7335544 0.81 ITGB3 (0.66) ITGB3ITGA2BALOX15KMT2AALDH1A1
SCHEMBL8043652 0.81 ITGB3 (0.41) ITGB3ITGA2BALOX15KMT2AALDH1A1
SCHEMBL7342517 0.80 ITGB3 (0.53) ITGB3ITGA2BALOX15KMT2AALDH1A1
SCHEMBL7313512 0.79 ITGB3 (0.48) ITGB3ITGA2BALOX15KMT2AALDH1A1
SCHEMBL7337509 0.79 ITGB3 (0.52) ITGB3ITGA2BALOX15KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1090273-A Acetogenin GLAXO GROUP LTD (GB) 1994-08-03 CN claimed
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