SCHEMBL5802188

SCHEMBL5802188

CCOC(=O)c1csc(C2CCN(C(=O)OC(=O)c3csc(C4CCN(C(=O)OC(C)(C)C)CC4)n3)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
GPR119 Q8TDV5 5/20 0.47
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
EED O75530 1/20 0.43
RBBP4 Q09028 1/20 0.43
SUZ12 Q15022 1/20 0.43

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
SCHEMBL419527 0.96 GPR119 (0.49) NR1H2NR1H3GPR119ALDH1A1GAA
SCHEMBL27113981 0.91 SMN1; SMN2 (0.47) NR1H2NR1H3GPR119ALDH1A1GAA
SCHEMBL18764600 0.90 NR1H2 (0.50) NR1H2NR1H3GPR119ALDH1A1GAA
SCHEMBL5802190 0.89 NR1H2 (0.45) NR1H2NR1H3GPR119ALDH1A1GAA
SCHEMBL15127746 0.89 ALDH1A1 (0.46) NR1H2NR1H3GPR119ALDH1A1GAA
SCHEMBL28788513 0.86 GPR119 (0.51) GPR119GAASMN1; SMN2HPGDKDM4E
SCHEMBL18764918 0.85 NR1H2 (0.51) NR1H2NR1H3GPR119ALDH1A1GAA
SCHEMBL12003104 0.85 NR1H2 (0.49) NR1H2NR1H3GPR119ALDH1A1GAA
SCHEMBL31705138 0.84 EED (0.50) GPR119ALDH1A1KDM4EHTTEED
SCHEMBL4954786 0.84 NR1H2 (0.42) NR1H2NR1H3GPR119ALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636218-A1 THIAZOLYLPIPERIDINE DERIVATIVES AS MTP INHIBITORS MERCK PATENT GmbH (DE) 2006-03-22 EP disclosed
WO-2005003128-A1 THIAZOLYLPIPERIDINE DERIVATIVES AS MTP INHIBITORS MERCK PATENT GMBH (DE) 2005-01-13 WO disclosed