SCHEMBL25008047

SCHEMBL25008047

CCCCC(C)c1nc(C(C)=O)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.42
ALDH1A1 P00352 2/20 0.35
ALOX5 P09917 1/20 0.32
PPARG P37231 1/20 0.32
HCAR2 Q8TDS4 3/20 0.32
HCAR3 P49019 2/20 0.32
CYP2C19 P33261 1/20 0.32
HRH3 Q9Y5N1 3/20 0.31
HRH4 Q9H3N8 2/20 0.31
POLB P06746 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
SCHEMBL25007239 0.85 GPR84 (0.42) GPR84ALDH1A1
SCHEMBL25008380 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL25008413 0.75 GPR84 (0.40) GPR84
SCHEMBL25006844 0.74 GPR84 (0.39) GPR84
SCHEMBL8479304 0.70 GPR84 (0.48) GPR84
SCHEMBL25007782 0.70 GPR84 (0.36) GPR84
SCHEMBL25006614 0.70 GPR84 (0.45) GPR84ALDH1A1CYP2C19POLB
SCHEMBL23415802 0.69 GPR84 (0.44) GPR84ALDH1A1HCAR2HCAR3
SCHEMBL23415846 0.69 GPR84 (0.44) GPR84ALDH1A1HCAR2HCAR3
SCHEMBL23415837 0.69 GPR84 (0.44) GPR84ALDH1A1HCAR2HCAR3

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-4129402-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2023-02-08 EP disclosed