SCHEMBL3239684

SCHEMBL3239684

O=C(O)Oc1cn(Cc2c(F)cccc2F)c2c(F)cccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.52
PTGDR2 Q9Y5Y4 3/20 0.39
PDE4A P27815 3/20 0.37
PDE7A Q13946 3/20 0.37
MAPT P10636 1/20 0.36
ROCK2 O75116 1/20 0.35
THRB P10828 1/20 0.35
LMNA P02545 1/20 0.34
CA5A P35218 1/20 0.34
POLB P06746 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL3230518 0.93 CHRM1 (0.48) CHRM1PTGDR2PDE4APDE7AMAPT
SCHEMBL3230300 0.93 CHRM1 (0.48) CHRM1PTGDR2PDE4APDE7AMAPT
SCHEMBL3238408 0.90 CHRM1 (0.46) CHRM1
SCHEMBL3234399 0.89 CHRM1 (0.63) CHRM1MAPTLMNA
SCHEMBL3234555 0.87 CHRM1 (0.49) CHRM1PTGDR2MAPTP2RX7
SCHEMBL3238090 0.86 CHRM1 (0.46) CHRM1PTGDR2PDE4APDE7ALMNA
SCHEMBL3237961 0.86 CHRM1 (0.54) CHRM1MAPTLMNAP2RX7
SCHEMBL3234268 0.86 CHRM1 (0.54) CHRM1MAPTP2RX7
SCHEMBL3234223 0.85 CHRM1 (0.47) CHRM1PTGDR2MAPTP2RX7
SCHEMBL2489039 0.85 CHRM1 (0.74) CHRM1MAPTLMNA

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