SCHEMBL18040232

SCHEMBL18040232

C[C@H](CO)n1cc(C(=O)O)nc1Br

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.38
XDH P47989 1/20 0.33
CXCR2 P25025 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
HTT P42858 1/20 0.30
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL28041713 0.83 RXFP1 (0.41) RXFP1PTGS1PTGS2HCAR3HCAR2
SCHEMBL15148770 0.81 CYP1A2 (0.43) RXFP1HTT
SCHEMBL15148352 0.81 CYP1A2 (0.43) RXFP1HTT
SCHEMBL19789285 0.81 CYP1A2 (0.43) RXFP1HTT
SCHEMBL375420 0.70 RXFP1 (0.45) RXFP1PTGS1PTGS2HCAR2
SCHEMBL18040235 0.68 ADA (0.47) HCAR3HCAR2
SCHEMBL29663112 0.68 ADA (0.47) HCAR3HCAR2
SCHEMBL29663447 0.68 ADA (0.47) HCAR3HCAR2
SCHEMBL19780550 0.68 HTR2A (0.32) RXFP1PTGS1PTGS2HCAR3HCAR2
SCHEMBL25274273 0.67 RXFP1 (0.42) RXFP1PTGS1PTGS2

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-3064502-A1 IMIDAZOPYRROLIDINONE COMPOUNDS Novartis AG (CH) 2016-09-07 EP disclosed