SCHEMBL3000144

SCHEMBL3000144

CC(C)(C)COC(=O)N1C2C[CH]CC1CC2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 14/20 0.39
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
AGTR2 P50052 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
PREP P48147 1/20 0.32
GPR119 Q8TDV5 2/20 0.32
GRM5 P41594 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL1712921 0.82 CHRM1 (0.43) CHRM1CHRM4CHRM5GRM5
SCHEMBL12292725 0.80 CHRM1 (0.46) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL23043164 0.80 CHRM1 (0.39) CHRM1CHRM2CHRM3AGTR2CHRM4
SCHEMBL12084215 0.79 CHRM1 (0.45) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL1713220 0.78 KCNK3 (0.39) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL12086318 0.78 CHRM1 (0.44) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL1289848 0.77 CHRM2 (0.64) CHRM1CHRM2CHRM3PREPGPR119
SCHEMBL2999610 0.77 RAB9A (0.44) CHRM1GPR119
SCHEMBL12989013 0.76 CHRM1 (0.43) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL2989012 0.75 SMN1; SMN2 (0.43) GRM5

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
US-7786308-B2 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US claimed