SCHEMBL28938017

SCHEMBL28938017

NC(=O)Oc1ccc(Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PLAU P00749 1/20 0.43
LIPE Q05469 1/20 0.43
NNMT P40261 2/20 0.41
PTK2 Q05397 1/20 0.41
MAOB P27338 1/20 0.40
SCN9A Q15858 2/20 0.40
MAPT P10636 2/20 0.40
LTA4H P09960 1/20 0.38
GRM8 O00222 1/20 0.37
GRM7 Q14831 1/20 0.37
GRM4 Q14833 1/20 0.37

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
SCHEMBL4634081 0.82 L3MBTL1 (0.44) ADRA2AADRA2BADRA2CL3MBTL1PLAU
SCHEMBL4634579 0.82 LIPE (0.47) L3MBTL1LIPEPTK2MAOBGRM8
SCHEMBL27379515 0.81 PTK2 (0.49) L3MBTL1LIPEPTK2GRM8GRM7
SCHEMBL29078226 0.78 NNMT (0.42) NNMTMAPT
SCHEMBL22557500 0.78 KDM4E (0.44) ADRA2AADRA2BADRA2CNNMT
SCHEMBL9572467 0.78 KMT2A (0.45) NNMTMAPT
SCHEMBL8459579 0.78 PTK2 (0.50) L3MBTL1LIPEPTK2MAPT
SCHEMBL2899777 0.77 KDM4E (0.46) ADRA2AADRA2BADRA2CPLAUNNMT
SCHEMBL20639594 0.77 NNMT (0.41) L3MBTL1NNMTMAPT
SCHEMBL28476110 0.77 KDM4E (0.58) ADRA2AADRA2BADRA2CPLAUNNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591212-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2022-06-07 CN disclosed
CN-108289893-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2022-04-12 CN disclosed