SCHEMBL13419152

SCHEMBL13419152

O=C(c1csc(C2CCN(C(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)n1)N1CCC(c2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 5/20 0.50
MTTP P55157 6/20 0.47
HCRTR1 O43613 3/20 0.47
HCRTR2 O43614 3/20 0.47
FAAH O00519 1/20 0.46
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SCD O00767 1/20 0.42
CCR5 P51681 1/20 0.41
TRPC3 Q13507 1/20 0.41
TRPC6 Q9Y210 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
SCHEMBL13419201 0.96 FAAH (0.48) SCD5MTTPHCRTR1HCRTR2FAAH
SCHEMBL13419184 0.92 MTTP (0.53) MTTPHCRTR1HCRTR2FAAH
SCHEMBL13419205 0.91 MTTP (0.54) MTTPHCRTR1HCRTR2FAAHRAB9A
SCHEMBL5796728 0.91 MTTP (0.54) MTTPHCRTR1HCRTR2FAAHRAB9A
SCHEMBL13419468 0.90 HCRTR1 (0.48) SCD5MTTPHCRTR1HCRTR2FAAH
SCHEMBL13419150 0.90 MTTP (0.46) SCD5MTTPHCRTR1HCRTR2FAAH
SCHEMBL13419545 0.90 MTTP (0.51) MTTPHCRTR1HCRTR2FAAHRAB9A
SCHEMBL13419084 0.89 MTTP (0.49) MTTPHCRTR1HCRTR2FAAH
SCHEMBL13419310 0.89 FAAH (0.46) SCD5MTTPHCRTR1HCRTR2FAAH
SCHEMBL13419451 0.88 MTTP (0.47) MTTPHCRTR1HCRTR2FAAH

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
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