SCHEMBL2933215

SCHEMBL2933215

O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1ccccc1)C1CCC(F)(F)C1)C2)Nc1ccncn1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.62
CHRM2 P08172 3/20 0.42
CHRM1 P11229 2/20 0.42

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
SCHEMBL2933214 1.00 CHRM3 (0.62) CHRM3CHRM2CHRM1
Bromide SCHEMBL2794739 0.99 CHRM3 (0.61) CHRM3CHRM2CHRM1
Bromide SCHEMBL2794735 0.99 CHRM3 (0.61) CHRM3CHRM2CHRM1
SCHEMBL2925710 0.90 CHRM3 (0.49) CHRM3CHRM2CHRM1
SCHEMBL2933375 0.90 CHRM3 (0.52) CHRM3CHRM2CHRM1
SCHEMBL2928309 0.90 CHRM3 (0.62) CHRM3CHRM2CHRM1
SCHEMBL2928308 0.90 CHRM3 (0.62) CHRM3CHRM2CHRM1
Bromide SCHEMBL2795666 0.90 CHRM3 (0.49) CHRM3CHRM2CHRM1
Bromide SCHEMBL2795667 0.90 CHRM3 (0.49) CHRM3CHRM2CHRM1
Bromide SCHEMBL2793191 0.89 CHRM3 (0.52) 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