SCHEMBL3234237

SCHEMBL3234237

O=C(O)Oc1cn(Cc2ccc(C(F)(F)F)cc2)c2c(F)cccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.56
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CHRM5 P08912 1/20 0.40
FABP4 P15090 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
P2RX7 Q99572 1/20 0.37

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
SCHEMBL3234280 0.90 CHRM1 (0.49) CHRM1KDM4EALDH1A1SMN1; SMN2FABP4
SCHEMBL3234399 0.89 CHRM1 (0.63) CHRM1MAPTTP53
SCHEMBL3234297 0.88 CHRM1 (0.48) CHRM1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL3236698 0.88 CHRM1 (0.54) CHRM1SMN1; SMN2
SCHEMBL2489039 0.87 CHRM1 (0.74) CHRM1MAPTTP53
SCHEMBL3234252 0.87 CHRM1 (0.44) CHRM1MAPTTP53P2RX7
SCHEMBL3234599 0.86 CHRM1 (0.44) CHRM1ALDH1A1POLBMAPTP2RX7
SCHEMBL3236068 0.86 CHRM1 (0.51) CHRM1MAPTP2RX7
SCHEMBL3234234 0.86 CHRM1 (0.76) CHRM1KDM4EALDH1A1SMN1; SMN2FABP4
SCHEMBL3232234 0.85 CHRM1 (0.56) CHRM1ALDH1A1SMN1; SMN2POLBTP53

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-1963271-B1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2010-07-28 EP claimed