SCHEMBL13419477

SCHEMBL13419477

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTTP P55157 6/20 0.47
HCRTR1 O43613 2/20 0.45
HCRTR2 O43614 2/20 0.45
FAAH O00519 1/20 0.42
KLRK1 P26718 1/20 0.42
MICA Q29983 1/20 0.42
UBE2M P61081 3/20 0.41
DCUN1D1 Q96GG9 3/20 0.41
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR2B P41595 1/20 0.39
MAPK14 Q16539 1/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
AKR1C3 P42330 1/20 0.39
RORC P51449 1/20 0.38
MLNR O43193 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL13419471 0.95 MTTP (0.47) MTTPHCRTR1HCRTR2FAAHKLRK1
SCHEMBL13419184 0.92 MTTP (0.53) MTTPHCRTR1HCRTR2FAAHKLRK1
SCHEMBL13419138 0.92 CYP2C9 (0.52) MTTPHCRTR1HCRTR2FAAHCYP2C9
SCHEMBL5796728 0.91 MTTP (0.54) MTTPHCRTR1HCRTR2FAAHKLRK1
SCHEMBL13419205 0.91 MTTP (0.54) MTTPHCRTR1HCRTR2FAAHKLRK1
SCHEMBL13419201 0.90 FAAH (0.48) MTTPHCRTR1HCRTR2FAAHUBE2M
SCHEMBL13419083 0.90 HTR2C (0.48) MTTPHCRTR1HCRTR2FAAHCYP2C9
SCHEMBL13419545 0.90 MTTP (0.51) MTTPHCRTR1HCRTR2FAAHUBE2M
SCHEMBL13419084 0.89 MTTP (0.49) MTTPHCRTR1HCRTR2FAAHUBE2M
SCHEMBL5751912 0.89 GAA (0.48) 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 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