SCHEMBL17090308

SCHEMBL17090308

COCOc1cccc(NC[C@H]2CC[C@H](NS(=O)(=O)C(C)(C)C)CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CNR2 P34972 5/20 0.36
BRD4 O60885 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
TGFBR1 P36897 1/20 0.35
CRHR1 P34998 2/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
CNR1 P21554 3/20 0.34
FYN P06241 1/20 0.33
MCHR1 Q99705 1/20 0.33
HDAC4 P56524 1/20 0.33
MEF2D Q14814 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL13565615 1.00 F10 (0.37) F10MEN1MAPTKMT2ANPC1
SCHEMBL17090000 0.89 NR1H4 (0.40) F10MEN1MAPTKMT2ANPC1
SCHEMBL13565132 0.89 NR1H4 (0.40) F10MEN1MAPTKMT2ANPC1
SCHEMBL13565482 0.89 HDAC4 (0.41) F10MEN1MAPTKMT2ANPC1
SCHEMBL17090309 0.89 HDAC4 (0.41) F10MEN1MAPTKMT2ANPC1
SCHEMBL17090087 0.87 ALDH1A1 (0.43) F10MEN1MAPTKMT2ANPC1
SCHEMBL13565709 0.87 ALDH1A1 (0.43) F10MEN1MAPTKMT2ANPC1
SCHEMBL11936203 0.87 CNR2 (0.39) F10MEN1MAPTKMT2ACNR2
SCHEMBL17090307 0.87 THRB (0.42) F10MEN1MAPTKMT2ANPC1
SCHEMBL13565621 0.87 THRB (0.42) F10MEN1MAPTKMT2ANPC1

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