SCHEMBL30118367

SCHEMBL30118367

N[C@@H](Cc1cccc(-c2ccc(N3CCNCC3)cc2)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.56
HTR1A P08908 2/20 0.49
HTR7 P34969 2/20 0.49
MAPKAPK2 P49137 1/20 0.49
CTSL P07711 3/20 0.48
CTSB P07858 3/20 0.48
CTSS P25774 3/20 0.48
CTSK P43235 2/20 0.48
AOC3 Q16853 5/20 0.47
TPH1 P17752 1/20 0.46
MAPK1 P28482 1/20 0.45
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44

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
SCHEMBL28946757 0.87 MAPKAPK2 (0.46) GRIA2HTR1AHTR7MAPKAPK2CTSL
SCHEMBL30218662 0.84 CTSL (0.51) HTR1AHTR7MAPKAPK2CTSLCTSB
SCHEMBL2265830 0.84 SLC7A5 (0.53) TPH1ALPIPKMPTGS1XIAP
SCHEMBL31329363 0.84 SLC7A5 (0.53) TPH1ALPIPKMPTGS1XIAP
SCHEMBL1904776 0.79 GRIA2 (0.79) GRIA2TPH1MAPK1ALPIPKM
SCHEMBL22190023 0.79 GRIA2 (0.79) GRIA2TPH1MAPK1ALPIPKM
SCHEMBL16465139 0.79 GRIA2 (0.79) GRIA2TPH1MAPK1ALPIPKM
SCHEMBL31398345 0.79 GRIA2 (0.79) GRIA2TPH1MAPK1ALPIPKM
SCHEMBL29217053 0.79 GRIA2 (0.84) GRIA2MAPK1ALPIPKMPTGS1
SCHEMBL944210 0.79 GRIA2 (0.84) GRIA2MAPK1ALPIPKMPTGS1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115666241-A Fungicidal compositions 先正达农作物保护股份公司 2023-01-31 CN claimed
CN-115666238-A Fungicidal compositions 先正达农作物保护股份公司 2023-01-31 CN claimed
CN-115666240-A Fungicidal compositions 先正达农作物保护股份公司 2023-01-31 CN claimed
CN-115697056-A Fungicidal compositions 先正达农作物保护股份公司 2023-02-03 CN disclosed
CN-115666241-A Fungicidal compositions 先正达农作物保护股份公司 2023-01-31 CN disclosed
CN-115666240-A Fungicidal compositions 先正达农作物保护股份公司 2023-01-31 CN disclosed