SCHEMBL19852079

SCHEMBL19852079

CC(C)(C)OC(=O)N1CC2CCC2C1CNc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
ACKR3 P25106 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
NAMPT P43490 1/20 0.39
TGFBR1 P36897 1/20 0.39
USP30 Q70CQ3 1/20 0.38
TACR1 P25103 3/20 0.38
STS P08842 1/20 0.38
HCRTR2 O43614 1/20 0.38
HSD11B1 P28845 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL496187 0.78 KMT2A (0.41) GPR119KDM4EPKMACKR3JAK2
SCHEMBL12311356 0.75 OPRD1 (0.53) GPR119KDM4EPKMACKR3USP30
SCHEMBL5870674 0.74 NAMPT (0.62) GPR119KDM4EPKMACKR3JAK2
SCHEMBL1338962 0.74 JAK2 (0.41) GPR119KDM4EPKMJAK2JAK1
SCHEMBL2933059 0.74 JAK2 (0.41) GPR119KDM4EPKMJAK2JAK1
SCHEMBL2933063 0.74 JAK2 (0.41) GPR119KDM4EPKMJAK2JAK1
SCHEMBL4067280 0.74 JAK2 (0.41) GPR119KDM4EPKMJAK2JAK1
SCHEMBL30364768 0.73 ACKR3 (0.42) GPR119KDM4EPKMACKR3JAK2
SCHEMBL3087666 0.72 KDM4E (0.70) GPR119KDM4EPKMTGFBR1STS
SCHEMBL21555085 0.72 CTSL (0.46) GPR119JAK2JAK1

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
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO disclosed