SCHEMBL27915228

SCHEMBL27915228

CC(C)CC(O)(C(=O)N1CC[CH]CC1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ CHRM3 P20309 8/20 0.39
▸ CHRM1 P11229 6/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ FASN P49327 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CHRM2 P08172 3/20 0.38
▸ LMNA P02545 1/20 0.37

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
SCHEMBL15127544 0.83 ACHE (0.49) GAACHRM3CHRM1KMT2ACHRM2
SCHEMBL3635381 0.80 L3MBTL3 (0.46) CHRM3CHRM1MEN1KMT2ACHRM2
SCHEMBL16209901 0.77 ALDH1A1 (0.46) SMN1; SMN2CHRM3CHRM1CHRM4CHRM5
SCHEMBL3652874 0.74 CYP2D6 (0.48) SMN1; SMN2GAACHRM3CHRM1KMT2A
SCHEMBL9967818 0.74 CHRM3 (0.45) SMN1; SMN2CHRM3CHRM1CHRM4CHRM5
SCHEMBL16209989 0.71 SMN1; SMN2 (0.40) SMN1; SMN2CHRM3CHRM1CHRM4CHRM5
SCHEMBL16209793 0.71 CHRM3 (0.64) CHRM3CHRM1CHRM2
SCHEMBL6763904 0.70 CES1 (0.47) SMN1; SMN2GAACHRM3CHRM1CHRM2
SCHEMBL4009225 0.69 KCNN4 (0.55) SMN1; SMN2GAACHRM3CHRM1MEN1
SCHEMBL4894399 0.69 CHRM3 (0.73) CHRM3CHRM1CHRM2

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
CN-101663270-B Quaternary ammonium compounds useful as muscarinic receptor antagonists THERAVANCE INC 2013-07-17 — — CN disclosed
Send feedback