SCHEMBL2461978

SCHEMBL2461978

CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(OC(C)=O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.40
MAOB P27338 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BACE1 P56817 1/20 0.36
CLK1 P49759 1/20 0.35
RAB9A P51151 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
PTGS2 P35354 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MGAM O43451 4/20 0.33
GAA P10253 4/20 0.33
SI P14410 4/20 0.33
MGAM2 Q2M2H8 4/20 0.33

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
SCHEMBL2460915 0.91 MGAM (0.34) CHRM1KDM4EMGAMGAASI
SCHEMBL2488207 0.86 CHRM1 (0.41) CHRM1MAOBKDM4ETP53CYP3A4
SCHEMBL2491673 0.85 CHRM1 (0.42) CHRM1MAOBKDM4ETP53CYP3A4
SCHEMBL15472265 0.84 CHRM1 (0.43) CHRM1MAOBKDM4ETP53CYP3A4
SCHEMBL1135918 0.84 CHRM1 (0.40) CHRM1MAOBKDM4ECYP3A4HSD17B10
SCHEMBL1136185 0.83 CHRM1 (0.41) CHRM1MAOBKDM4ECYP3A4HSD17B10
SCHEMBL13560282 0.83 CHRM1 (0.39) CHRM1MAOBKDM4ECYP3A4HSD17B10
SCHEMBL3663892 0.83 CHRM1 (0.39) CHRM1MAOBKDM4ECYP3A4HSD17B10
SCHEMBL2581807 0.83 CHRM1 (0.45) CHRM1MAOBCLK1RAB9APTGDR2
SCHEMBL27844048 0.83 MET (0.33) MAOBMGAMGAASIMGAM2

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
EP-2364298-A1 Quinolone compound and pharmaceutical composition Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed
WO-2010064735-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed