SCHEMBL12934989

SCHEMBL12934989

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ CHRM1 P11229 4/20 0.43
▸ CHRM2 P08172 2/20 0.43
▸ CHRM4 P08173 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ KCNH2 Q12809 5/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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 0.93 POLB (0.48) POLBCHRM1CHRM2CHRM4L3MBTL1
SCHEMBL12934944 0.91 POLB (0.44) POLBCHRM1CHRM2CHRM4L3MBTL1
SCHEMBL12935728 0.90 CHRM1 (0.42) POLBCHRM1CHRM2CHRM4CHRM5
SCHEMBL12935064 0.90 KDM4E (0.47) POLBCHRM1CHRM2CHRM4L3MBTL1
SCHEMBL11939236 0.90 POLB (0.47) POLBCHRM1CHRM2CHRM4L3MBTL1
SCHEMBL12935091 0.90 POLB (0.46) POLBCHRM1CHRM2CHRM4L3MBTL1
SCHEMBL12935111 0.89 POLB (0.45) POLBCHRM1CHRM2CHRM4L3MBTL1
SCHEMBL11940874 0.89 KMT2A (0.49) POLBCHRM1CHRM2CHRM4L3MBTL1
SCHEMBL11939772 0.88 CHRM1 (0.46) POLBCHRM1CHRM2CHRM4L3MBTL1
SCHEMBL12934699 0.88 POLB (0.46) POLBCHRM1CHRM2CHRM4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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