SCHEMBL17090246

SCHEMBL17090246

CC(C)S(=O)(=O)N[C@H]1CC[C@H](CNc2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
NPY5R Q15761 7/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 2/20 0.39
PKM P14618 1/20 0.39
PKLR P30613 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL11935135 1.00 CNR2 (0.44) CNR2NPY5RNPC1POLBRAB9A
SCHEMBL13439145 0.93 MAPT (0.45) CNR2NPY5RNPC1RAB9ASMN1; SMN2
SCHEMBL11935096 0.93 MAPT (0.45) CNR2NPY5RNPC1RAB9ASMN1; SMN2
SCHEMBL13565934 0.90 CNR2 (0.42) CNR2NPY5RNPC1POLBRAB9A
SCHEMBL17090262 0.90 CNR2 (0.42) CNR2NPY5RNPC1POLBRAB9A
SCHEMBL11935440 0.88 HSD17B10 (0.46) CNR2NPY5RNPC1POLBRAB9A
SCHEMBL13439174 0.88 HSD17B10 (0.46) CNR2NPY5RNPC1POLBRAB9A
SCHEMBL17090332 0.84 CNR2 (0.49) CNR2NPY5RNPC1POLBRAB9A
SCHEMBL13565771 0.84 CNR2 (0.49) CNR2NPY5RNPC1POLBRAB9A
SCHEMBL11936153 0.80 GRIA4 (0.46) CNR2NPY5RMAPTKMT2A

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