SCHEMBL31069259

SCHEMBL31069259

OCCCc1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.58
MPO P05164 4/20 0.51
SLC6A4 P31645 1/20 0.47
CA2 P00918 1/20 0.47
AOC3 Q16853 1/20 0.47
IDO1 P14902 2/20 0.43
DAO P14920 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
MAOB P27338 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL80668 1.00 TAAR1 (0.58) TAAR1MPOSLC6A4CA2AOC3
SCHEMBL2956567 0.93 TAAR1 (0.56) TAAR1MPOSLC6A4CA2AOC3
SCHEMBL15022605 0.91 TAAR1 (0.54) TAAR1MPOSLC6A4CA2AOC3
SCHEMBL29796478 0.86 TAAR1 (0.62) TAAR1MPOSLC6A4AOC3IDO1
SCHEMBL625220 0.86 TAAR1 (0.62) TAAR1MPOSLC6A4AOC3IDO1
SCHEMBL30660239 0.85 TAAR1 (0.68) TAAR1MPOSLC6A4AOC3IDO1
SCHEMBL27491064 0.84 TAAR1 (0.41) TAAR1MPOSLC6A4CA2AOC3
SCHEMBL29681348 0.83 TDP1 (0.43) TAAR1MPOSLC6A4CA2KDM4E
SCHEMBL29681353 0.83 TDP1 (0.43) TAAR1MPOSLC6A4CA2KDM4E
SCHEMBL1607140 0.83 TDP1 (0.43) TAAR1MPOSLC6A4CA2KDM4E

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-112689636-B Novel heteroatom aromatic amide derivative and pharmaceutical agent containing same 科研制药株式会社 2024-08-20 CN disclosed