SCHEMBL7344852

SCHEMBL7344852

CC(C)(C)OC(=O)CN1CCC(N2CCN(c3ccc(C(N)=S)nc3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
HRH3 Q9Y5N1 6/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 3/20 0.39
WNT1 P04628 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
MEN1 O00255 2/20 0.37
PARP1 P09874 2/20 0.36
TNKS O95271 1/20 0.36
PARP6 Q2NL67 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
AOC3 Q16853 1/20 0.35
HTR4 Q13639 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL7345105 0.91 ITGB3 (0.52) ITGB3ITGA2BHRH3ALOX15KMT2A
Trifluoroacetic Acid SCHEMBL7342136 0.86 ITGB3 (0.49) ITGB3ITGA2BHRH3ALOX15KMT2A
SCHEMBL7337291 0.85 ITGB3 (0.56) ITGB3ITGA2BHRH3ALOX15KMT2A
SCHEMBL7305518 0.84 HRH3 (0.42) ITGB3ITGA2BHRH3KMT2AMEN1
SCHEMBL7345122 0.81 ITGB3 (0.41) ITGB3ITGA2BHRH3ALOX15KMT2A
SCHEMBL7345347 0.79 ITGB3 (0.71) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL21876880 0.79 ITGB3 (0.49) ITGB3ITGA2BHRH3ALOX15KMT2A
SCHEMBL7338379 0.78 ITGB3 (0.54) ITGB3ITGA2BHRH3ALOX15KMT2A
SCHEMBL7338384 0.78 ITGB3 (0.54) ITGB3ITGA2BHRH3ALOX15KMT2A
Trifluoroacetic Acid SCHEMBL7342139 0.77 ITGB3 (0.40) ITGB3ITGA2BHRH3ALOX15KMT2A

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