SCHEMBL2491002

SCHEMBL2491002

COc1ccc(-c2ccc(Cn3cc(OC(=O)O)c(=O)c4ccccc43)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.71
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
LMNA P02545 4/20 0.57
P2RX4 Q99571 1/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49

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
SCHEMBL2490511 0.91 LMNA (0.59) CHRM1LMNA
SCHEMBL2487853 0.87 CHRM1 (0.93) CHRM1POLBSMN1; SMN2LMNAALDH1A1
SCHEMBL3237179 0.84 LMNA (0.59) CHRM1LMNA
SCHEMBL3234156 0.84 LMNA (0.62) CHRM1LMNA
SCHEMBL2489217 0.83 CHRM1 (0.61) CHRM1POLBSMN1; SMN2LMNAALDH1A1
SCHEMBL2492203 0.83 CHRM1 (0.61) CHRM1POLBSMN1; SMN2LMNAALDH1A1
SCHEMBL1549479 0.83 CHRM1 (1.00) CHRM1POLBSMN1; SMN2LMNAALDH1A1
SCHEMBL31653939 0.83 CHRM1 (1.00) CHRM1POLBSMN1; SMN2LMNAALDH1A1
SCHEMBL3234258 0.83 CHRM1 (0.55) CHRM1POLBSMN1; SMN2LMNA
SCHEMBL3236676 0.83 CHRM1 (0.55) CHRM1POLBSMN1; 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-2037739-B1 BENZYL-SUBSTITUTED QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2011-10-26 EP claimed