SCHEMBL2934896

SCHEMBL2934896

O=C(C[N+]12CCC(CC1)C(OC(=O)[C@](O)(c1ccsc1)C1CCC(F)(F)C1)C2)Nc1ncccn1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.46
CHRM2 P08172 2/20 0.46
CHRM1 P11229 2/20 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
Bromide SCHEMBL2795566 0.99 CHRM3 (0.46) CHRM3CHRM2CHRM1
Bromide SCHEMBL2795565 0.99 CHRM3 (0.46) CHRM3CHRM2CHRM1
SCHEMBL2935981 0.93 CHRM3 (0.43) CHRM3CHRM2CHRM1
SCHEMBL2935980 0.93 CHRM3 (0.43) CHRM3CHRM2CHRM1
Bromide SCHEMBL2793149 0.93 CHRM3 (0.44) CHRM3CHRM2CHRM1
Bromide SCHEMBL2793152 0.93 CHRM3 (0.44) CHRM3CHRM2CHRM1
SCHEMBL2933375 0.89 CHRM3 (0.52) CHRM3CHRM2CHRM1
SCHEMBL2930411 0.89 CHRM3 (0.52) CHRM3CHRM2CHRM1
SCHEMBL2931265 0.89 CHRM3 (0.50) CHRM3CHRM2CHRM1
SCHEMBL2931263 0.89 CHRM3 (0.50) 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-1811999-B1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2010-09-15 EP claimed