SCHEMBL15005403

SCHEMBL15005403

COC(=O)c1ccc(CC[N+](C)(C)C2(C(=O)OC)CCN(C(=O)[C@](O)(c3ccccc3)C3CCCC3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 18/20 0.53
▸ HRH1 P35367 1/20 0.48
▸ CHRM2 P08172 3/20 0.46
▸ CHRM1 P11229 3/20 0.46

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
SCHEMBL12099105 0.87 CHRM3 (0.54) CHRM3CHRM2CHRM1
SCHEMBL27779314 0.84 CHRM3 (0.57) CHRM3HRH1CHRM2CHRM1
SCHEMBL27779312 0.84 CHRM3 (0.57) CHRM3HRH1CHRM2CHRM1
SCHEMBL27800692 0.79 CHRM3 (0.55) CHRM3CHRM2CHRM1
SCHEMBL2003167 0.74 CHRM3 (0.56) CHRM3CHRM2CHRM1
SCHEMBL4887549 0.73 CHRM3 (0.65) CHRM3CHRM2CHRM1
SCHEMBL4891590 0.73 CHRM3 (0.65) CHRM3CHRM2CHRM1
SCHEMBL4897583 0.72 CHRM3 (0.58) CHRM3CHRM2CHRM1
SCHEMBL4897650 0.72 CHRM3 (0.64) CHRM3CHRM2CHRM1
SCHEMBL12099129 0.70 CHRM3 (0.60) 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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