SCHEMBL17090262

SCHEMBL17090262

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
ALOX15 P16050 1/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PKM P14618 1/20 0.38
PKLR P30613 1/20 0.38

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
SCHEMBL13565934 1.00 CNR2 (0.42) CNR2ALOX15MAPTMEN1KMT2A
SCHEMBL13439174 0.92 HSD17B10 (0.46) CNR2ALOX15MAPTMEN1KMT2A
SCHEMBL11935440 0.92 HSD17B10 (0.46) CNR2ALOX15MAPTMEN1KMT2A
SCHEMBL11935135 0.90 CNR2 (0.44) CNR2MAPTMEN1KMT2AHSD17B10
SCHEMBL17090246 0.90 CNR2 (0.44) CNR2MAPTMEN1KMT2AHSD17B10
SCHEMBL13439145 0.84 MAPT (0.45) CNR2MAPTMEN1KMT2AHSD17B10
SCHEMBL11935096 0.84 MAPT (0.45) CNR2MAPTMEN1KMT2AHSD17B10
SCHEMBL13565771 0.81 CNR2 (0.49) CNR2MAPTMEN1KMT2AHSD17B10
SCHEMBL17090332 0.81 CNR2 (0.49) CNR2MAPTMEN1KMT2AHSD17B10
SCHEMBL10114876 0.81 KDM4E (0.58) MAPTMEN1KMT2AHSD17B10POLB

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