SCHEMBL29977369

SCHEMBL29977369

CC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.68
PTAFR P25105 1/20 0.68
HTR1D P28221 1/20 0.68
HTR2C P28335 1/20 0.68
ADRA1B P35368 1/20 0.68
DRD3 P35462 1/20 0.68
TMEM97 Q5BJF2 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.63
MAPT P10636 3/20 0.63
NR5A2 O00482 1/20 0.53
NR5A1 Q13285 1/20 0.53
MAPK1 P28482 5/20 0.51
MEN1 O00255 3/20 0.51
GMNN O75496 3/20 0.51
LMNA P02545 3/20 0.51
BLM P54132 3/20 0.51
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
PRKD3 O94806 1/20 0.51
PRKCG P05129 1/20 0.51

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
SCHEMBL3828992 1.00 ADRA1D (0.68) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL19821628 0.88 MAPT (0.71) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL30278565 0.88 MAPT (0.71) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL3405063 0.86 SMN1; SMN2 (0.60) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL15263707 0.85 ADRA1D (0.78) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL3409969 0.84 SMN1; SMN2 (0.67) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL30649908 0.84 SMN1; SMN2 (0.67) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL17761142 0.84 SMN1; SMN2 (0.68) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL6904233 0.84 SMN1; SMN2 (0.68) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL29458110 0.84 SMN1; SMN2 (0.68) ADRA1DPTAFRHTR1DHTR2CADRA1B

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-115128287-A Markers for acid sphingomyelinase disorders and uses thereof 建新公司 2022-09-30 CN disclosed