SCHEMBL23486451

SCHEMBL23486451

O=C(Nc1cccc(Cl)c1F)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 4/20 0.47
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
F11 P03951 9/20 0.47
KLK1 P06870 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
USP30 Q70CQ3 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 1/20 0.41

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
SCHEMBL23486654 0.87 USP30 (0.45) KLKB1PLGPLAUF11CYP1A2
SCHEMBL29758102 0.86 MEN1 (0.44) F11SMN1; SMN2MEN1KMT2AIDO1
SCHEMBL23486843 0.83 CYP2D6 (0.51) KLKB1PLGPLAUF11CYP1A2
SCHEMBL23486879 0.82 F11 (0.46) PLAUF11KLK1SMN1; SMN2MEN1
SCHEMBL30680353 0.80 KLKB1 (0.54) KLKB1PLGPLAUF11CYP1A2
SCHEMBL23466764 0.80 KLKB1 (0.54) KLKB1PLGPLAUF11CYP1A2
SCHEMBL23466422 0.80 F11 (0.47) KLKB1F11CYP1A2CYP3A4CYP2D6
SCHEMBL29758126 0.80 F11 (0.47) KLKB1F11CYP1A2CYP3A4CYP2D6
SCHEMBL23466421 0.80 F11 (0.47) KLKB1F11CYP1A2CYP3A4CYP2D6
SCHEMBL23486573 0.79 F11 (0.46) KLKB1PLGPLAUF11KLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728917-B Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-12-08 CN disclosed
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
WO-2021110076-A1 OXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 深圳信立泰药业股份有限公司 2021-06-10 WO disclosed