SCHEMBL8348648

SCHEMBL8348648

COC(=O)[C@H](CNC(=O)c1ccc(N2CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.52
ITGA2B P08514 6/20 0.52
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
ITGAV P06756 2/20 0.46
TGFBR1 P36897 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GPR119 Q8TDV5 2/20 0.44
EGFR P00533 1/20 0.42
LIMK2 P53671 1/20 0.42
MMP1 P03956 2/20 0.42
MMP3 P08254 2/20 0.42
MMP7 P09237 2/20 0.42

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
SCHEMBL8352179 0.90 STS (0.50) ITGB3ITGA2BKDM4EPKMSMN1; SMN2
SCHEMBL7658148 0.85 ITGB3 (0.68) ITGB3ITGA2BSMN1; SMN2LMNAMAPT
SCHEMBL8354977 0.84 ITGB3 (0.45) ITGB3ITGA2BKDM4EPKMSMN1; SMN2
SCHEMBL383058 0.81 ITGB3 (0.58) ITGB3ITGA2BITGAV
SCHEMBL8348900 0.80 SMN1; SMN2 (0.47) ITGB3ITGA2BKDM4EPKMSMN1; SMN2
SCHEMBL8354878 0.80 SMN1; SMN2 (0.59) KDM4EPKMSMN1; SMN2LMNAMAPT
SCHEMBL8348629 0.80 SMN1; SMN2 (0.53) KDM4EPKMSMN1; SMN2LMNAMAPT
SCHEMBL8355408 0.79 SMN1; SMN2 (0.46) KDM4EPKMSMN1; SMN2LMNAMAPT
SCHEMBL8354618 0.79 SMN1; SMN2 (0.45) KDM4EPKMSMN1; SMN2LMNAMAPT
SCHEMBL8352940 0.79 ITGB3 (0.79) ITGB3ITGA2BITGAV

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
WO-1999020606-A2 PIPERIDINES AND PIPERAZINES AS PLATELET AGGREGATION INHIBITORS J. URIACH & CIA. S.A. (ES) 1999-04-29 WO disclosed