SCHEMBL5796728

SCHEMBL5796728

O=C(c1csc(C2CCN(C(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)n1)N1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTTP P55157 8/20 0.54
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46
TSHR P16473 2/20 0.46
RECQL P46063 1/20 0.46
FAAH O00519 1/20 0.45
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
KLRK1 P26718 1/20 0.42
MICA Q29983 1/20 0.42
RAET1L Q5VY80 1/20 0.42
HTR2C P28335 1/20 0.42
SCN9A Q15858 1/20 0.42
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL13419205 1.00 MTTP (0.54) MTTPHCRTR1HCRTR2TSHRRECQL
SCHEMBL13419184 0.99 MTTP (0.53) MTTPHCRTR1HCRTR2TSHRRECQL
SCHEMBL13419463 0.94 MTTP (0.49) MTTPHCRTR1HCRTR2TSHRRECQL
SCHEMBL13419451 0.93 MTTP (0.47) MTTPHCRTR1HCRTR2TSHRRECQL
SCHEMBL13419201 0.92 FAAH (0.48) MTTPHCRTR1HCRTR2FAAHUBE2M
SCHEMBL13419150 0.92 MTTP (0.46) MTTPHCRTR1HCRTR2TSHRRECQL
SCHEMBL13419152 0.91 SCD5 (0.50) MTTPHCRTR1HCRTR2FAAHRAB9A
SCHEMBL13419083 0.91 HTR2C (0.48) MTTPHCRTR1HCRTR2FAAHHTR2C
SCHEMBL13419471 0.91 MTTP (0.47) MTTPHCRTR1HCRTR2FAAHUBE2M
SCHEMBL13419545 0.91 MTTP (0.51) MTTPHCRTR1HCRTR2TSHRRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674803-B2 Thiazolypiperidine derivatives as MTP inhibitors MERCK PATENT GMBH (DE) 2010-03-09 US disclosed
US-7674803-B2 Thiazolypiperidine derivatives as MTP inhibitors MERCK PATENT GMBH (DE) 2010-03-09 US disclosed
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