SCHEMBL7337291

SCHEMBL7337291

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
ALOX15 P16050 1/20 0.55
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GPR119 Q8TDV5 3/20 0.44
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HRH3 Q9Y5N1 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MBTD1 Q05BQ5 1/20 0.40
TP53BP1 Q12888 1/20 0.40
L3MBTL4 Q8NA19 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 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
SCHEMBL7345347 0.90 ITGB3 (0.71) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL7337679 0.88 GPR119 (0.57) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL7338384 0.88 ITGB3 (0.54) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL7338379 0.88 ITGB3 (0.54) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL7345047 0.85 ITGB3 (0.39) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7347695 0.85 ITGB3 (0.42) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL7344852 0.85 ITGB3 (0.45) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL7338959 0.85 ITGB3 (0.40) ITGB3ITGA2BALOX15GPR119
SCHEMBL21876880 0.85 ITGB3 (0.49) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL7297485 0.83 MEN1 (0.45) ITGB3ITGA2BALOX15KMT2AMEN1

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