SCHEMBL1234976

SCHEMBL1234976

O=C(O[C@H]1CN2CCC1CC2)[C@](O)(c1cccs1)C1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 1.00
CHRM2 P08172 13/20 1.00
CHRM1 P11229 13/20 1.00
CHRM4 P08173 1/20 0.53
CHRM5 P08912 1/20 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
SCHEMBL1234092 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1234090 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1233260 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1234978 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1235030 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1233262 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1234843 0.99 CHRM3 (0.98) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1234846 0.99 CHRM3 (0.98) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1234391 0.99 CHRM3 (0.98) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1234128 0.99 CHRM3 (0.98) CHRM3CHRM2CHRM1CHRM4CHRM5

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-7893087-B2 3(R)-1-Phenethyl-(9[H]-xanthene-9-carbonyloxy)-1-azoniabicyclo[2.2.2] octane quaternary salt with a mono- or polyvalent anion; antimuscarinic agents used to treat chronic obstructive pulmonary disease, chronic bronchitis, bronchial hyperreactivity, asthma, or rhinitis ALMIRALL, S.A. (ES) 2011-02-22 US disclosed
US-7879874-B2 3(R)-1-Phenethyl-(9[H]-xanthene-9-carbonyloxy)-1-azoniabicyclo[2.2.2] octane quaternary salt with a mono- or polyvalent anion; antimuscarinic agents used to treat chronic obstructive pulmonary disease, chronic bronchitis, bronchial hyperreactivity, asthma, or rhinitis ALMIRALL, S.A. (ES) 2011-02-01 US disclosed