SCHEMBL2488348

SCHEMBL2488348

O=C(O)Oc1cn(Cc2ccc(-c3ccnc(F)c3)cc2F)c2c(F)ccc(F)c2c1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 11/20 0.40
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
CAPN1 P07384 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
PTGER2 P43116 1/20 0.32
LRRK2 Q5S007 1/20 0.31
GRIN2B Q13224 1/20 0.31
PIM1 P11309 2/20 0.31
PIM2 Q9P1W9 2/20 0.31
KMO O15229 1/20 0.31

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
SCHEMBL2492205 0.89 CHRM1 (0.41) CHRM1GRIN2B
SCHEMBL2486084 0.87 CHRM1 (0.53) CHRM1
SCHEMBL2492208 0.86 CHRM1 (0.41) CHRM1GRIN2B
SCHEMBL2486353 0.85 CHRM1 (0.57) CHRM1CAPN1KMO
SCHEMBL2487909 0.85 CHRM1 (0.43) CHRM1
SCHEMBL2488465 0.85 CHRM1 (0.41) CHRM1PTGER2GRIN2B
SCHEMBL2491881 0.84 ERN1 (0.42) CHRM1GRIN2B
SCHEMBL2488025 0.84 CHRM1 (0.41) CHRM1GRIN2B
SCHEMBL2487494 0.83 CHRM1 (0.40) CHRM1
SCHEMBL2490966 0.82 CHRM1 (0.42) CHRM1CAPN1

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