SCHEMBL11939236

SCHEMBL11939236

CCOC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)C(C)C)Cc2ccccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ CHRM1 P11229 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ CHRM4 P08173 2/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ KCNH2 Q12809 5/20 0.42
▸ GAA P10253 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41

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
SCHEMBL11939670 0.92 POLB (0.48) POLBCHRM1L3MBTL1CHRM4CHRM2
SCHEMBL12934944 0.90 POLB (0.44) POLBCHRM1L3MBTL1CHRM4CHRM2
SCHEMBL12934989 0.90 POLB (0.44) POLBCHRM1L3MBTL1CHRM4CHRM2
SCHEMBL11940874 0.89 KMT2A (0.49) POLBCHRM1L3MBTL1CHRM4CHRM2
SCHEMBL12935064 0.89 KDM4E (0.47) POLBCHRM1L3MBTL1CHRM4CHRM2
SCHEMBL11939590 0.89 CHRM1 (0.44) POLBCHRM1CHRM4CHRM2CHRM5
SCHEMBL11939772 0.89 CHRM1 (0.46) POLBCHRM1L3MBTL1CHRM4CHRM2
SCHEMBL12934699 0.89 POLB (0.46) POLBCHRM1L3MBTL1CHRM4CHRM2
SCHEMBL12935091 0.89 POLB (0.46) POLBCHRM1L3MBTL1CHRM4CHRM2
SCHEMBL12934810 0.88 POLB (0.45) POLBCHRM1L3MBTL1CHRM4CHRM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817036-B1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMA (US) 2012-07-04 — — EP disclosed
US-7863449-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-04 — — US disclosed
US-7863449-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-04 — — US disclosed
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