SCHEMBL24729465

SCHEMBL24729465

C[C@@H](OC(N)=O)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.47
TRPM8 Q7Z2W7 5/20 0.46
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
PARP1 P09874 1/20 0.44
AOC3 Q16853 1/20 0.44
OGG1 O15527 1/20 0.44
DHFR P00374 2/20 0.42
ACP3 P15309 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 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
SCHEMBL17844752 1.00 ADRA1D (0.47) ADRA1DTRPM8HPGDALOX15PARP1
SCHEMBL29927069 1.00 ADRA1D (0.47) ADRA1DTRPM8HPGDALOX15PARP1
SCHEMBL27480876 0.85 HPGD (0.46) ADRA1DTRPM8HPGDALOX15AOC3
SCHEMBL29141742 0.83 ADRA1D (0.39) ADRA1DTRPM8HPGDALOX15AOC3
SCHEMBL3424145 0.81 PARP1 (0.46) TRPM8PARP1AOC3ACP3
SCHEMBL3715003 0.81 ADRB1 (0.50) PARP1ADRB2ADRB1ADRB3
SCHEMBL27997344 0.81 HPGD (0.43) ADRA1DHPGDALOX15AOC3ACP3
SCHEMBL515036 0.80 PARP1 (0.44) HPGDPARP1
SCHEMBL27405841 0.80 PARP1 (0.44) ADRA1DTRPM8HPGDALOX15PARP1
SCHEMBL27469165 0.80 PARP1 (0.44) ADRA1DTRPM8HPGDALOX15PARP1

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-2022197755-A1 IMIDAZOPYRIDINYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed