SCHEMBL21986281

SCHEMBL21986281

CN(SCc1ccc(Oc2cc(C#N)nc(C3CC3)n2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL20343978 0.86 GPR119 (0.36) GPR119HTR2CSLC6A4ALDH1A1LMNA
SCHEMBL20252434 0.83 DPP4 (0.33) GPR119PDE4BPDE4DCNR2
SCHEMBL20343967 0.75 SMN1; SMN2 (0.40) HTR2CSLC6A4ALDH1A1LMNAMAPT
SCHEMBL20239258 0.74 PDE4B (0.34) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL21985800 0.74 SMN1; SMN2 (0.41) HTR2CSLC6A4ALDH1A1LMNAMAPT
SCHEMBL20344054 0.73 HTR2C (0.34) HTR2CSLC6A4ALDH1A1LMNAMAPT
SCHEMBL20252430 0.71 SMN1; SMN2 (0.36) GPR119ALDH1A1PDE4BPDE4D
SCHEMBL20252443 0.69 GPR119 (0.32) GPR119PDE4BPDE4D
SCHEMBL16738676 0.69 GPR119 (0.36) GPR119ALDH1A1LMNA
SCHEMBL20252433 0.68 MAPK8 (0.30)

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
EP-3298001-B1 DGAT2 INHIBITORS LILLY CO ELI (US) 2020-05-13 EP disclosed