SCHEMBL5751912

SCHEMBL5751912

NC(=O)C1CCN(C(=O)c2csc(C3CCN(C(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)CC3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MTTP P55157 6/20 0.48
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FAAH O00519 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
UBE2M P61081 2/20 0.40
DCUN1D1 Q96GG9 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
SCN9A Q15858 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
SCHEMBL13419545 0.92 MTTP (0.51) MTTPHCRTR1HCRTR2ALDH1A1FAAH
SCHEMBL13419184 0.91 MTTP (0.53) MTTPHCRTR1HCRTR2ALDH1A1FAAH
SCHEMBL13419155 0.91 MTTP (0.47) MTTPHCRTR1HCRTR2FAAHUBE2M
SCHEMBL5796728 0.90 MTTP (0.54) MTTPHCRTR1HCRTR2FAAHUBE2M
SCHEMBL13419205 0.90 MTTP (0.54) MTTPHCRTR1HCRTR2FAAHUBE2M
SCHEMBL13419201 0.90 FAAH (0.48) MTTPHCRTR1HCRTR2FAAHUBE2M
SCHEMBL13419465 0.89 MTTP (0.48) GAATDP1MTTPHCRTR1HCRTR2
SCHEMBL13419083 0.89 HTR2C (0.48) MTTPHCRTR1HCRTR2FAAHSMN1; SMN2
SCHEMBL13419477 0.89 MTTP (0.47) MTTPHCRTR1HCRTR2FAAHTRPV1
SCHEMBL13419471 0.89 MTTP (0.47) MTTPHCRTR1HCRTR2FAAHUBE2M

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