SCHEMBL15005675

SCHEMBL15005675

C[N+](CCc1ccc(O)cc1)(CC(N)=O)C1CCN(C(=O)C(O)(c2ccccc2)C2CCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 20/20 0.53
▸ CHRM2 P08172 3/20 0.53
▸ CHRM1 P11229 3/20 0.53

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
SCHEMBL4895491 0.90 CHRM3 (0.55) CHRM3CHRM2CHRM1
SCHEMBL4897583 0.87 CHRM3 (0.58) CHRM3CHRM2CHRM1
SCHEMBL4891590 0.81 CHRM3 (0.65) CHRM3CHRM2CHRM1
SCHEMBL4887549 0.81 CHRM3 (0.65) CHRM3CHRM2CHRM1
SCHEMBL27800692 0.79 CHRM3 (0.55) CHRM3CHRM2CHRM1
SCHEMBL4892142 0.78 CHRM3 (0.60) CHRM3CHRM2CHRM1
SCHEMBL4892149 0.78 CHRM3 (0.60) CHRM3CHRM2CHRM1
SCHEMBL4889948 0.78 CHRM3 (0.55) CHRM3CHRM2CHRM1
SCHEMBL4896458 0.78 CHRM3 (0.55) CHRM3CHRM2CHRM1
SCHEMBL4889958 0.78 CHRM3 (0.55) 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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