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SCHEMBL6989646

SCHEMBL6989646

C=CCN(Cc1cccs1)C(=O)O[C@H]1CN2CCC1CC2.O=C(OC12CCN(CC1)C2)N(Cc1ccccc1)c1ccccc1.O=C(OC12CCN(CC1)CC2)N(Cc1ccccc1)c1ccccc1.O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccco1)Cc1ccco1.O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccco1)c1ccccc1.O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 20/20 0.49
▸ CHRM1 P11229 20/20 0.49
▸ CHRM3 P20309 20/20 0.49
▸ CHRM4 P08173 2/20 0.35
▸ CHRM5 P08912 2/20 0.35

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
SCHEMBL6992770 0.85 CHRM2 (0.60) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL6229983 0.82 CHRM2 (0.71) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL2835758 0.72 CHRM3 (0.82) CHRM2CHRM1CHRM3
SCHEMBL2829321 0.71 CHRM3 (0.74) CHRM2CHRM1CHRM3
SCHEMBL2832680 0.71 CHRM2 (0.72) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL2831291 0.69 CHRM2 (1.00) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL6230332 0.67 CHRM2 (0.87) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL2831960 0.67 CHRM2 (0.65) CHRM2CHRM1CHRM3
SCHEMBL2829257 0.67 CHRM3 (1.00) CHRM2CHRM1CHRM3
SCHEMBL1924243 0.66 CHRM2 (1.00) CHRM2CHRM1CHRM3CHRM4CHRM5

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
EP-1345937-A1 QUINUCLIDINE CARBAMATE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2003-09-24 — — EP disclosed
WO-2002051841-A1 QUINUCLIDINE CARBAMATE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2002-07-04 — — WO disclosed