SCHEMBL13419201

SCHEMBL13419201

O=C(c1csc(C2CCN(C(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)n1)N1CCC(c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.48
MTTP P55157 6/20 0.47
HCRTR1 O43613 2/20 0.47
HCRTR2 O43614 2/20 0.47
SCD5 Q86SK9 5/20 0.46
SCD O00767 2/20 0.46
TRPC3 Q13507 1/20 0.45
TRPC6 Q9Y210 1/20 0.45
CCR5 P51681 1/20 0.43
P2RY14 Q15391 2/20 0.42
ADRB3 P13945 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1E P28566 1/20 0.42
TSPO P30536 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42
HTR5A P47898 1/20 0.42

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
SCHEMBL13419152 0.96 SCD5 (0.50) FAAHMTTPHCRTR1HCRTR2SCD5
SCHEMBL13419184 0.93 MTTP (0.53) FAAHMTTPHCRTR1HCRTR2UBE2M
SCHEMBL13419545 0.92 MTTP (0.51) FAAHMTTPHCRTR1HCRTR2UBE2M
SCHEMBL5796728 0.92 MTTP (0.54) FAAHMTTPHCRTR1HCRTR2UBE2M
SCHEMBL13419205 0.92 MTTP (0.54) FAAHMTTPHCRTR1HCRTR2UBE2M
SCHEMBL13419084 0.92 MTTP (0.49) FAAHMTTPHCRTR1HCRTR2UBE2M
SCHEMBL13419198 0.91 HCRTR1 (0.47) FAAHMTTPHCRTR1HCRTR2
SCHEMBL13419083 0.90 HTR2C (0.48) FAAHMTTPHCRTR1HCRTR2KCNH2
SCHEMBL13419477 0.90 MTTP (0.47) FAAHMTTPHCRTR1HCRTR2UBE2M
SCHEMBL13419471 0.90 MTTP (0.47) FAAHMTTPHCRTR1HCRTR2UBE2M

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