SCHEMBL13419461

SCHEMBL13419461

CC1CC(C)CN(C(=O)c2csc(C3CCN(C(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)CC3)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.47
HCRTR2 O43614 6/20 0.47
MTTP P55157 6/20 0.43
FAAH O00519 1/20 0.41
UBE2M P61081 3/20 0.39
DCUN1D1 Q96GG9 3/20 0.39
SYK P43405 1/20 0.38
TRPC3 Q13507 1/20 0.38
TRPC6 Q9Y210 1/20 0.38
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL13419184 0.90 MTTP (0.53) HCRTR1HCRTR2MTTPFAAHUBE2M
SCHEMBL13419205 0.89 MTTP (0.54) HCRTR1HCRTR2MTTPFAAHUBE2M
SCHEMBL5796728 0.89 MTTP (0.54) HCRTR1HCRTR2MTTPFAAHUBE2M
SCHEMBL13419084 0.89 MTTP (0.49) HCRTR1HCRTR2MTTPFAAHUBE2M
SCHEMBL13419201 0.88 FAAH (0.48) HCRTR1HCRTR2MTTPFAAHUBE2M
SCHEMBL13419152 0.87 SCD5 (0.50) HCRTR1HCRTR2MTTPFAAHTRPC3
SCHEMBL13419083 0.87 HTR2C (0.48) HCRTR1HCRTR2MTTPFAAH
SCHEMBL13419471 0.87 MTTP (0.47) HCRTR1HCRTR2MTTPFAAHUBE2M
SCHEMBL13419477 0.87 MTTP (0.47) HCRTR1HCRTR2MTTPFAAHUBE2M
SCHEMBL13419545 0.87 MTTP (0.51) HCRTR1HCRTR2MTTPFAAHUBE2M

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 3 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-B1 THIAZOLYLPIPERIDINE DERIVATIVES AS MTP INHIBITORS MERCK PATENT GMBH (DE) 2009-03-25 EP disclosed