SCHEMBL28545104

SCHEMBL28545104

CC(C)(C)OC(=O)N1CCN(c2c(F)cc(OCC(=O)N3CCCCC3)cc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
GPR119 Q8TDV5 3/20 0.48
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL17422251 0.99 GPR119 (0.49) HPGDGPR119ALDH1A1TSHRRAB9A
SCHEMBL17431867 0.86 GPR119 (0.52) GPR119ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL21122527 0.85 HPGD (0.54) HPGDALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL20584215 0.84 GPR119 (0.52) GPR119ALDH1A1LMNAMAPTHTT
SCHEMBL17422296 0.84 HPGD (0.54) HPGDALDH1A1TSHRRAB9ALMNA
SCHEMBL18879761 0.84 HPGD (0.58) HPGDALDH1A1TSHRRAB9AMAPT
SCHEMBL18879721 0.83 HPGD (0.56) HPGDALDH1A1TSHRRAB9AMAPT
SCHEMBL17422241 0.83 HPGD (0.52) HPGDALDH1A1TSHRRAB9ALMNA
SCHEMBL17432245 0.81 GPR119 (0.51) GPR119ALDH1A1LMNAMAPTHTT
SCHEMBL17432219 0.81 GPR119 (0.53) GPR119HTT

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-108473504-B Novel dihydropyranopyrimidinone derivatives and uses thereof ST制药株式会社 2021-04-16 CN disclosed