SCHEMBL2489439

SCHEMBL2489439

CN1CCN(c2ccc(-c3ccc(Cn4cc(OC(=O)O)c(=O)c5cccc(F)c54)cc3)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.51
TNKS O95271 3/20 0.40
HDAC8 Q9BY41 2/20 0.39
FYN P06241 3/20 0.38
HTR1A P08908 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
DRD3 P35462 1/20 0.38
ATM Q13315 1/20 0.37
AXL P30530 1/20 0.37
TOP1 P11387 3/20 0.37
RET P07949 1/20 0.37
TDO2 P48775 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
SCHEMBL2488339 0.93 CHRM1 (0.53) CHRM1HTR1ADRD4HTR2ASLC6A4
SCHEMBL2488155 0.93 CHRM1 (0.53) CHRM1HTR1ADRD4HTR2ASLC6A4
SCHEMBL2488335 0.90 CHRM1 (0.51) CHRM1TDO2
SCHEMBL2488856 0.89 CHRM1 (0.66) CHRM1TNKSDRD3TOP1
SCHEMBL2490145 0.84 CHRM1 (0.59) CHRM1TOP1
SCHEMBL2487941 0.84 CHRM1 (0.58) CHRM1TOP1
SCHEMBL2488388 0.83 CHRM1 (0.56) CHRM1TOP1
SCHEMBL2492079 0.83 CHRM1 (0.57) CHRM1TOP1
SCHEMBL2488124 0.82 CHRM1 (0.55) CHRM1TOP1
SCHEMBL2485899 0.81 CHRM1 (0.69) CHRM1TOP1

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-2037739-B1 BENZYL-SUBSTITUTED QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2011-10-26 EP claimed