SCHEMBL17089955

SCHEMBL17089955

CCCCOc1ccc(NC[C@H]2CC[C@H](NS(=O)(=O)C(C)(C)C)CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
NPY5R Q15761 1/20 0.36
MET P08581 1/20 0.35
MERTK Q12866 2/20 0.34
AXL P30530 1/20 0.34
TYRO3 Q06418 1/20 0.34
DGAT1 O75907 1/20 0.34
CRHR1 P34998 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MCHR1 Q99705 1/20 0.33
CNR1 P21554 1/20 0.32
PABPC1 P11940 1/20 0.32

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
SCHEMBL13564763 1.00 CNR2 (0.37) CNR2MEN1KMT2APOLBNPY5R
SCHEMBL11936194 0.87 KCNH2 (0.39) CNR2MEN1KMT2APOLBNPY5R
SCHEMBL13565623 0.86 NPC1 (0.42) CNR2POLBLMNA
SCHEMBL17089960 0.86 NPC1 (0.42) CNR2POLBLMNA
SCHEMBL11936224 0.86 NPY5R (0.42) CNR2NPY5RCRHR1MCHR1CNR1
SCHEMBL13565593 0.86 MEN1 (0.36) MEN1KMT2APOLBMETMERTK
SCHEMBL17090349 0.84 MEN1 (0.35) CNR2MEN1KMT2APOLBMET
SCHEMBL17089963 0.83 KMT2A (0.40) KMT2ANPY5RMCHR1
SCHEMBL13564764 0.83 KMT2A (0.40) KMT2ANPY5RMCHR1
SCHEMBL13565488 0.82 CNR2 (0.40) CNR2NPY5RCNR1

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