SCHEMBL15005829

SCHEMBL15005829

CN(C)C(Cc1ccc(O)cc1)C1CCN(C(=O)C(O)(c2ccccc2)C2CCCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 20/20 0.55
▸ CHRM2 P08172 3/20 0.55
▸ CHRM1 P11229 3/20 0.55

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
SCHEMBL4894451 0.94 CHRM3 (0.59) CHRM3CHRM2CHRM1
SCHEMBL9967806 0.80 CHRM3 (0.58) CHRM3CHRM2CHRM1
SCHEMBL12099350 0.78 CHRM3 (0.57) CHRM3CHRM2CHRM1
SCHEMBL4895499 0.78 CHRM3 (0.60) CHRM3CHRM2CHRM1
SCHEMBL4895506 0.78 CHRM3 (0.56) CHRM3CHRM2CHRM1
Ammonia Solution, Strong SCHEMBL27800813 0.76 CHRM3 (0.61) CHRM3CHRM2CHRM1
SCHEMBL6634443 0.76 CHRM3 (0.71) CHRM3CHRM2CHRM1
SCHEMBL27574422 0.76 CHRM3 (0.71) CHRM3CHRM2CHRM1
SCHEMBL4897583 0.76 CHRM3 (0.58) CHRM3CHRM2CHRM1
SCHEMBL4884492 0.76 CHRM3 (0.70) CHRM3CHRM2CHRM1

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
EP-2146957-B1 QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2013-06-12 — — EP disclosed
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