SCHEMBL7344004

SCHEMBL7344004

CC(C)(C)OC(=O)CN1CCC(N2CCN(c3ccc(C(=N)NC(=O)c4ccccc4)cc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
ALOX15 P16050 1/20 0.51
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 3/20 0.39
PKM P14618 1/20 0.39
HIF1A Q16665 1/20 0.39
SMN1; SMN2 Q16637 2/20 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
SCHEMBL7342517 0.89 ITGB3 (0.53) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7310389 0.88 ITGB3 (0.52) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7337962 0.87 ITGB3 (0.68) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL9368133 0.86 ITGB3 (0.50) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7340673 0.86 ITGB3 (0.50) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7341525 0.86 ITGB3 (0.49) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7313512 0.85 ITGB3 (0.48) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7336773 0.84 ITGB3 (0.49) ITGB3ITGA2BALOX15MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7340661 0.84 ITGB3 (0.61) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7345347 0.83 ITGB3 (0.71) 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 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