SCHEMBL3240976

SCHEMBL3240976

COc1ccc(Cn2cc(OC(=O)O)c(=O)c3c(F)ccc(F)c32)cc1F

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.56
TDP1 Q9NUW8 1/20 0.43
DBH P09172 1/20 0.42
P2RX7 Q99572 7/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ROCK2 O75116 1/20 0.39
ALKBH1 Q13686 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 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
SCHEMBL3236790 0.90 CHRM1 (0.53) CHRM1P2RX7SMN1; SMN2
SCHEMBL2880256 0.86 CHRM1 (0.76) CHRM1TDP1DBHP2RX7ALKBH1
SCHEMBL3235484 0.85 CHRM1 (0.52) CHRM1TDP1DBHP2RX7ROCK2
SCHEMBL3234654 0.85 CHRM1 (0.57) CHRM1SMN1; SMN2LMNA
SCHEMBL3239024 0.84 CHRM1 (0.57) CHRM1SMN1; SMN2
SCHEMBL2487847 0.84 CHRM1 (0.70) CHRM1P2RX7SMN1; SMN2LMNA
SCHEMBL3239724 0.83 CHRM1 (0.50) CHRM1P2RX7SMN1; SMN2
SCHEMBL2486079 0.81 CHRM1 (0.70) CHRM1
SCHEMBL3237430 0.81 CHRM1 (0.53) CHRM1P2RX7SMN1; SMN2
SCHEMBL3236193 0.80 CHRM1 (0.53) CHRM1SMN1; SMN2LMNA

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