SCHEMBL5310106

SCHEMBL5310106

Cc1nn(C(C)C)c(=O)c(CCc2cccc(F)c2)c1-c1cccc(O)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.41
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
KMT2A Q03164 1/20 0.37
AR P10275 2/20 0.37
DAO P14920 1/20 0.36
NLRP3 Q96P20 1/20 0.35
GCGR P47871 2/20 0.35
FPR1 P21462 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN11 Q06124 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.35
TRPM8 Q7Z2W7 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
SCHEMBL5311056 0.86 GNRHR (0.46) FPR1
SCHEMBL5308386 0.84 CASR (0.54) CASRDAO
SCHEMBL5307986 0.83 CASR (0.45) CASRDAO
SCHEMBL5308119 0.83 CASR (0.48) CASRDAOFPR1
SCHEMBL5413917 0.80 CASR (0.36) CASRALPLALPIALPGKMT2A
SCHEMBL5311895 0.78 GNRHR (0.42) CASR
SCHEMBL5311530 0.78 GNRHR (0.49) CASR
SCHEMBL5311941 0.78 GNRHR (0.40) CASRFPR1
SCHEMBL5313085 0.75 CASR (0.51) CASRKMT2A
SCHEMBL5310935 0.74 CASR (0.48) CASRDAO

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
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed