SCHEMBL28795396

SCHEMBL28795396

COc1cc(N2CCC3(CC2)CN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.39
POLB P06746 1/20 0.39
BACE1 P56817 1/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
TGFBR1 P36897 1/20 0.37
KMT2A Q03164 2/20 0.37
PIK3CA P42336 1/20 0.37
PRKDC P78527 1/20 0.37
GPR174 Q9BXC1 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
GNRHR P30968 1/20 0.36

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
SCHEMBL28795257 0.94 GPR119 (0.40) GPR119POLBBACE1ALDH1A1SMN1; SMN2
SCHEMBL28795397 0.90 ALDH1A1 (0.45) GPR119POLBBACE1ALDH1A1SMN1; SMN2
SCHEMBL31458457 0.88 ALDH1A1 (0.44) GPR119POLBALDH1A1SMN1; SMN2HTT
SCHEMBL28795474 0.88 ALDH1A1 (0.44) GPR119POLBALDH1A1SMN1; SMN2HTT
SCHEMBL28795428 0.87 GPR119 (0.44) GPR119POLBALDH1A1SMN1; SMN2HTT
SCHEMBL28795291 0.87 ACACB (0.42) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL31498867 0.86 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL28795237 0.86 ALDH1A1 (0.43) GPR119ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL28795232 0.85 SMN1; SMN2 (0.41) GPR119POLBBACE1ALDH1A1SMN1; SMN2
SCHEMBL28795359 0.85 SMN1; SMN2 (0.43) GPR119POLBBACE1ALDH1A1SMN1; SMN2

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
CN-114805303-A Molecule with double functions of degrading EGFR (epidermal growth factor receptor), composition and pharmaceutical application thereof 海思科医药集团股份有限公司 2022-07-29 CN disclosed