SCHEMBL2489039

SCHEMBL2489039

O=C(O)Oc1cn(Cc2ccc(-c3ccccc3)cc2)c2c(F)cccc2c1=O

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.74
TOP1 P11387 9/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.41
SERPINE1 P05121 1/20 0.40
LMNA P02545 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL3234399 0.93 CHRM1 (0.63) CHRM1TP53MAPTLMNACNR2
SCHEMBL2492203 0.91 CHRM1 (0.61) CHRM1TOP1LMNA
SCHEMBL2485661 0.90 CHRM1 (0.61) CHRM1TOP1
SCHEMBL2490145 0.89 CHRM1 (0.59) CHRM1TOP1TP53MAPT
SCHEMBL2487941 0.88 CHRM1 (0.58) CHRM1TOP1TP53MAPT
SCHEMBL2488682 0.87 CHRM1 (0.57) CHRM1TOP1TP53MAPT
SCHEMBL2492079 0.87 CHRM1 (0.57) CHRM1TOP1MAPT
SCHEMBL3234237 0.87 CHRM1 (0.56) CHRM1TP53MAPT
SCHEMBL3232234 0.87 CHRM1 (0.56) CHRM1TP53LMNA
SCHEMBL3234589 0.87 CHRM1 (0.55) CHRM1TP53MAPTLMNA

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