SCHEMBL13419463

SCHEMBL13419463

O=C(c1csc(C2CCN(C(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)n1)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTTP P55157 6/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL3 Q96JM7 4/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
TP53BP1 Q12888 2/20 0.46
CYP2C9 P11712 2/20 0.44
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
FAAH O00519 1/20 0.42
MBTD1 Q05BQ5 1/20 0.41
SMYD2 Q9NRG4 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39

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
SCHEMBL13419451 0.99 MTTP (0.47) MTTPMEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL13419205 0.94 MTTP (0.54) MTTPMEN1KMT2AHCRTR1HCRTR2
SCHEMBL5796728 0.94 MTTP (0.54) MTTPMEN1KMT2AHCRTR1HCRTR2
SCHEMBL13419184 0.93 MTTP (0.53) MTTPMEN1KMT2AHCRTR1HCRTR2
SCHEMBL13419201 0.88 FAAH (0.48) MTTPHCRTR1HCRTR2FAAHUBE2M
SCHEMBL13419152 0.87 SCD5 (0.50) MTTPHCRTR1HCRTR2FAAH
SCHEMBL13419083 0.87 HTR2C (0.48) MTTPCYP2C9HCRTR1HCRTR2FAAH
SCHEMBL13419477 0.87 MTTP (0.47) MTTPCYP2C9HCRTR1HCRTR2FAAH
SCHEMBL13419545 0.87 MTTP (0.51) MTTPHCRTR1HCRTR2FAAHTSHR
SCHEMBL13419471 0.87 MTTP (0.47) MTTPCYP2C9HCRTR1HCRTR2FAAH

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