SCHEMBL20076052

SCHEMBL20076052

COC(=O)c1ccc(N2CCCC(CCC3CCN(C(=O)OC(C)(C)C)CC3)CC2)nn1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.46
SCD O00767 1/20 0.44
KDM4E B2RXH2 2/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL20046423 0.87 SCD (0.46) GPR119SCDKDM4EPKMALDH1A1
SCHEMBL23536796 0.87 GPR119 (0.45) GPR119SCDKDM4EPKMALDH1A1
SCHEMBL27169461 0.87 SCD (0.45) GPR119SCDKDM4EPKMALDH1A1
SCHEMBL30893463 0.84 GPR119 (0.52) GPR119SCDALDH1A1LMNAMAPT
SCHEMBL23960996 0.84 GPR119 (0.52) GPR119SCDALDH1A1LMNAMAPT
SCHEMBL25059180 0.83 GPR119 (0.41) GPR119SCDKDM4EPKMALDH1A1
SCHEMBL20046676 0.83 HRH3 (0.47) GPR119SCDALDH1A1
SCHEMBL20046463 0.83 HRH3 (0.52) GPR119SCDALDH1A1
SCHEMBL23572658 0.78 GPR119 (0.45) GPR119SCDKDM4EPKM
SCHEMBL24379281 0.78 GPR119 (0.45) GPR119SCDKDM4EPKM

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-2018071606-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. (US) 2018-04-19 WO disclosed