SCHEMBL30157769

SCHEMBL30157769

Cc1ccc(CN2C(=O)CCC2CC(=O)NCCc2ccccc2F)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ KMT2A Q03164 3/20 0.49
▸ TAAR1 Q96RJ0 2/20 0.48
▸ BCHE P06276 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ GFER P55789 1/20 0.43

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
SCHEMBL30158715 0.90 GAA (0.59) GAATSHRKMT2AHDAC1HDAC2
SCHEMBL30157722 0.89 GAA (0.63) GAATSHRKMT2ABCHEACHE
SCHEMBL30157490 0.89 KMT2A (0.50) GAATSHRKMT2AHTTALDH1A1
SCHEMBL30157498 0.89 GAA (0.48) GAATSHRKMT2ABCHEACHE
SCHEMBL30157568 0.89 GAA (0.52) GAATSHRKMT2ABCHEACHE
SCHEMBL30157585 0.87 HTT (0.58) GAATSHRKMT2AHTTHDAC1
SCHEMBL30157510 0.87 P2RX7 (0.51) GAATSHRKMT2AHTTALDH1A1
SCHEMBL30157983 0.87 GAA (0.53) GAAKMT2ABCHEACHEHTT
SCHEMBL30157966 0.87 KMT2A (0.58) GAATSHRKMT2AHTTALDH1A1
SCHEMBL30157321 0.86 KMT2A (0.53) GAATSHRKMT2AHTTALDH1A1

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-2022268520-A1 USE OF SUBSTITUTED PYRROLIDINONES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 — — WO disclosed
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