SCHEMBL6603633

SCHEMBL6603633

COC(=O)c1ccnn1Cc1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.52
MCHR1 Q99705 1/20 0.48
F2 P00734 1/20 0.47
PLAU P00749 1/20 0.47
KLKB1 P03952 1/20 0.47
ELANE P08246 1/20 0.47
UCHL1 P09936 1/20 0.46
FAAH O00519 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
PTGS2 P35354 1/20 0.46
ALOX15 P16050 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NOD2 Q9HC29 1/20 0.45

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
SCHEMBL2050022 0.88 UCHL1 (0.57) NPBWR1MCHR1UCHL1KDM4EHTT
SCHEMBL23013238 0.88 TAS1R3 (0.52) F2PLAUKLKB1ELANEKDM4E
SCHEMBL2456576 0.87 NPBWR1 (0.53) NPBWR1MCHR1UCHL1
SCHEMBL29483303 0.86 NPBWR1 (0.52) NPBWR1MCHR1UCHL1ALOX15L3MBTL1
SCHEMBL1048024 0.84 NPBWR1 (0.48) NPBWR1MCHR1UCHL1HTTL3MBTL1
SCHEMBL8886643 0.82 NPBWR1 (0.51) NPBWR1MCHR1KDM4EALOX15
SCHEMBL4680080 0.80 NPBWR1 (0.47) NPBWR1MCHR1UCHL1
SCHEMBL14368129 0.80 PTGER4 (0.59) NPBWR1KDM4EALOX15L3MBTL1
SCHEMBL7056151 0.80 F2 (0.48) F2PLAUKLKB1ELANEHTT
SCHEMBL13724241 0.79 NPBWR1 (0.56) NPBWR1MCHR1KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114181205-A Pyrazolopyridine compound or salt thereof, and preparation method and application thereof 上海辉启生物医药科技有限公司 2022-03-15 CN disclosed
EP-1156803-A4 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL MYERS SQUIBB CO (US) 2004-03-17 EP disclosed
EP-1156803-A1 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-28 EP disclosed
US-6297233-B1 Lactam inhibitors of FXa and method BRISTOL-MYERS SQUIBB COMPANY 2001-10-02 US disclosed
WO-2000047207-A1 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-17 WO disclosed