SCHEMBL5802190

SCHEMBL5802190

CCOC(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1.O=C(O)c1csc(C2CCN(C(=O)O)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
GPR119 Q8TDV5 5/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
FAAH O00519 1/20 0.42
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
THRB P10828 1/20 0.41

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 0.93 GPR119 (0.49) NR1H2NR1H3GPR119ALDH1A1GAA
SCHEMBL5802188 0.89 NR1H2 (0.47) NR1H2NR1H3GPR119ALDH1A1GAA
SCHEMBL27113981 0.89 SMN1; SMN2 (0.47) NR1H2NR1H3GPR119ALDH1A1GAA
SCHEMBL1884146 0.88 CASP3 (0.48) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL419123 0.88 GPR119 (0.51) GPR119ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL18764600 0.87 NR1H2 (0.50) NR1H2NR1H3GPR119ALDH1A1GAA
SCHEMBL15127746 0.86 ALDH1A1 (0.46) NR1H2NR1H3GPR119ALDH1A1GAA
SCHEMBL28788513 0.84 GPR119 (0.51) GPR119GAASMN1; SMN2HPGDKDM4E
SCHEMBL18764918 0.83 NR1H2 (0.51) NR1H2NR1H3GPR119ALDH1A1GAA
SCHEMBL12003104 0.82 NR1H2 (0.49) 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