SCHEMBL17956169

SCHEMBL17956169

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.33
GRM7 Q14831 1/20 0.33
NLRP3 Q96P20 1/20 0.32
PDE4D Q08499 1/20 0.32
CLK1 P49759 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL7910627 0.93 CHRM1 (0.34) CHRM1GRM7NLRP3PDE4DCLK1
SCHEMBL2463456 0.91 CHRM1 (0.33) CHRM1GRM7NLRP3PDE4DCLK1
SCHEMBL2460971 0.89 CHRM1 (0.36) CHRM1GRM7NLRP3PDE4DCLK1
SCHEMBL2549541 0.88 CHRM1 (0.36) CHRM1GRM7NLRP3PDE4DCLK1
SCHEMBL2549544 0.88 CHRM1 (0.36) CHRM1GRM7NLRP3PDE4DCLK1
SCHEMBL2548972 0.88 CHRM1 (0.36) CHRM1GRM7NLRP3PDE4DCLK1
SCHEMBL2462784 0.87 CHRM1 (0.34) CHRM1GRM7NLRP3PDE4DCLK1
SCHEMBL2461073 0.86 SMN1; SMN2 (0.39) CHRM1NLRP3PDE4DCLK1RAB9A
SCHEMBL2460970 0.85 CHRM1 (0.38) CHRM1GRM7NLRP3PDE4DCLK1
SCHEMBL15472261 0.85 CHRM1 (0.41) CHRM1PDE4DCLK1RAB9ACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364298-B1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2016-08-03 EP disclosed