SCHEMBL17090349

SCHEMBL17090349

CCCCOc1ccc(NCC2CCC(NS(=O)(=O)C(C)CC)CC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
MET P08581 1/20 0.34
MERTK Q12866 3/20 0.33
AXL P30530 1/20 0.33
TYRO3 Q06418 1/20 0.33
DGAT1 O75907 1/20 0.33
CNR2 P34972 2/20 0.32
ACACB O00763 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
CRHR1 P34998 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL13565593 0.92 MEN1 (0.36) MEN1POLBKMT2AMETMERTK
SCHEMBL13565599 0.87 NPC1 (0.41) POLBCNR2NPC1RAB9A
SCHEMBL17089955 0.84 CNR2 (0.37) MEN1POLBKMT2AMETMERTK
SCHEMBL13564763 0.84 CNR2 (0.37) MEN1POLBKMT2AMETMERTK
SCHEMBL10114215 0.83 L3MBTL1 (0.46) MEN1POLBKMT2AMERTKTYRO3
SCHEMBL13565055 0.78 NPC1 (0.42) POLBCNR2NPC1RAB9A
SCHEMBL13438726 0.78 MERTK (0.47) MEN1POLBKMT2AMERTKAXL
SCHEMBL11934855 0.78 MERTK (0.47) MEN1POLBKMT2AMERTKAXL
SCHEMBL13565523 0.77 LMNA (0.38) MEN1KMT2ACRHR1NPC1RAB9A
SCHEMBL13565754 0.76 ACHE (0.39) CNR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed