SCHEMBL2489435

SCHEMBL2489435

Cn1nccc1-c1ccc(Cn2cc(OC(=O)O)c(=O)c3cccc(F)c32)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.43
P2RX7 Q99572 5/20 0.37
PDE10A Q9Y233 2/20 0.36
BDKRB1 P46663 2/20 0.33
MAPT P10636 1/20 0.33
FSCN1 Q16658 1/20 0.33
LRRK2 Q5S007 1/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CTSA P10619 1/20 0.33

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
SCHEMBL2489433 0.89 CHRM1 (0.56) CHRM1MAPTFSCN1TP53RXFP1
SCHEMBL2488682 0.84 CHRM1 (0.57) CHRM1BDKRB1MAPTTP53RXFP1
SCHEMBL2485728 0.82 CHRM1 (0.47) CHRM1
SCHEMBL3233811 0.81 CHRM1 (0.47) CHRM1P2RX7PDE10AMAPTFSCN1
SCHEMBL2488912 0.81 ROCK2 (0.46) CHRM1
SCHEMBL2486645 0.80 CHRM1 (0.42) CHRM1PDE10ABDKRB1CTSA
SCHEMBL2487142 0.80 CHRM1 (0.48) CHRM1MAPT
SCHEMBL3234223 0.76 CHRM1 (0.47) CHRM1P2RX7PDE10AMAPTTP53
SCHEMBL3234555 0.76 CHRM1 (0.49) CHRM1P2RX7PDE10AMAPTTP53
SCHEMBL3228656 0.76 CHRM1 (0.47) CHRM1P2RX7MAPTTP53RXFP1

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