SCHEMBL28974592

SCHEMBL28974592

O=C1CCN(c2ccc(Cl)cc2NC(=O)C(=O)N[C@H](CNc2ccc(C(=O)O)cc2)Cc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F11 P03951 14/20 0.41
F9 P00740 1/20 0.39
KLKB1 P03952 4/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IDH2 P48735 1/20 0.36
KLK1 P06870 2/20 0.36
CTSL P07711 1/20 0.34
CTSK P43235 1/20 0.34
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
CPT1B Q92523 1/20 0.34

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
SCHEMBL30680254 0.86 F11 (0.45) F11F9KLKB1KLK1
SCHEMBL28974365 0.86 CTSD (0.42) F11F9KLKB1TSHRKLK1
SCHEMBL28974594 0.86 F11 (0.45) F11F9KLKB1KLK1
SCHEMBL23466576 0.86 F11 (0.45) F11F9KLKB1KLK1
SCHEMBL28974391 0.85 IRAK4 (0.41) F11F9KLKB1ALDH1A1PKM
SCHEMBL28974397 0.81 F9 (0.55) F11F9KLKB1KLK1
SCHEMBL29758014 0.80 ALDH1A1 (0.42) ALDH1A1PKMTSHRSMN1; SMN2L3MBTL1
SCHEMBL23466593 0.78 F11 (0.40) F11KLKB1ALDH1A1PKMTSHR
SCHEMBL23466596 0.78 F11 (0.40) F11KLKB1ALDH1A1PKMTSHR
SCHEMBL28974423 0.78 GRIK1 (0.43) F11F9KLKB1

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-114728917-A Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-07-08 CN disclosed