SCHEMBL8355408

SCHEMBL8355408

COC(=O)[C@H](CNC(=O)c1ccc(N2CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1)NC(=O)Cc1cccs1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 3/20 0.42
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.41
GFER P55789 1/20 0.41
YAP1 P46937 1/20 0.40
GPR119 Q8TDV5 4/20 0.40
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.38
EGFR P00533 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL8505235 0.82 SMN1; SMN2 (0.48) SMN1; SMN2LMNAMAPTMEN1CYP2C19
SCHEMBL8505238 0.82 SMN1; SMN2 (0.48) SMN1; SMN2LMNAMAPTMEN1CYP2C19
SCHEMBL8354878 0.82 SMN1; SMN2 (0.59) SMN1; SMN2LMNAMAPTMEN1CYP2C19
SCHEMBL8504934 0.81 GPR119 (0.53) SMN1; SMN2LMNAMAPTMEN1CYP2C19
SCHEMBL8504930 0.81 GPR119 (0.53) SMN1; SMN2LMNAMAPTMEN1CYP2C19
SCHEMBL8354977 0.81 ITGB3 (0.45) SMN1; SMN2LMNAMAPTMEN1CYP2C19
SCHEMBL8354618 0.80 SMN1; SMN2 (0.45) SMN1; SMN2LMNAMAPTMEN1CYP2C19
SCHEMBL8351846 0.80 ITGB3 (0.47) SMN1; SMN2MAPTKDM4EGFERALDH1A1
SCHEMBL8348648 0.79 ITGB3 (0.52) SMN1; SMN2LMNAMAPTMEN1CYP2C19
SCHEMBL8352179 0.79 STS (0.50) SMN1; SMN2LMNAMAPTMEN1CYP2C19

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