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SCHEMBL12934705

SCHEMBL12934705

CCOC(=O)N1CCC(CN2CCC3(CC2)CN(C(=O)OCC)Cc2ccccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 12/20 0.61
▸ CHRM4 P08173 3/20 0.61
▸ CHRM1 P11229 2/20 0.61
▸ SIGMAR1 Q99720 6/20 0.47

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
SCHEMBL12934866 0.96 KCNH2 (0.59) KCNH2CHRM4CHRM1SIGMAR1
SCHEMBL11939158 0.95 KCNH2 (0.59) KCNH2CHRM4CHRM1SIGMAR1
Hydrochloric Acid SCHEMBL1747772 0.94 KCNH2 (0.58) KCNH2CHRM4CHRM1SIGMAR1
SCHEMBL12934764 0.94 KCNH2 (0.58) KCNH2CHRM4CHRM1SIGMAR1
SCHEMBL12934717 0.94 KCNH2 (0.56) KCNH2CHRM4CHRM1SIGMAR1
SCHEMBL12935242 0.94 KCNH2 (0.56) KCNH2CHRM4CHRM1SIGMAR1
SCHEMBL11939645 0.93 KCNH2 (0.57) KCNH2CHRM4CHRM1SIGMAR1
SCHEMBL12935262 0.93 KCNH2 (0.55) KCNH2CHRM4CHRM1SIGMAR1
SCHEMBL12935137 0.93 KCNH2 (0.55) KCNH2CHRM4CHRM1SIGMAR1
SCHEMBL12934982 0.93 KCNH2 (0.56) KCNH2CHRM4CHRM1SIGMAR1

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