SCHEMBL4598320

SCHEMBL4598320

CCOC(=O)C1=C(c2ccc(COCCOC)cc2)C(F)(F)CN(Cc2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM3 P20309 2/20 0.38
CASP3 P42574 1/20 0.38
KMT2A Q03164 4/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 3/20 0.37
ADORA1 P30542 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4598388 0.80 ADORA1 (0.34) ADORA1KDM4EATM
SCHEMBL4938159 0.78 CHRM5 (0.40) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL2274453 0.76 CASP3 (0.47) CHRM5CHRM1CHRM2CHRM4CHRM3
Tetrahydrofuran SCHEMBL15556365 0.71 CASP3 (0.42) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL2910520 0.70 LMNA (0.48) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL4598439 0.70 CASP3 (0.41) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL4598109 0.70 TACR1 (0.35) MAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL17488514 0.69 CHRM5 (0.65) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL20670367 0.68 CASP3 (0.52) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL15415970 0.68 CASP3 (0.54) CHRM5CHRM1CHRM2CHRM4CHRM3

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-1908471-A1 Tetrahydropyridines as renin inhibitors Speedel Experimenta AG (CH) 2008-04-09 EP disclosed