SCHEMBL2933555

SCHEMBL2933555

O=C(C[N+]12CCC(CC1)C(OC(=O)[C@@](O)(c1cccs1)C1CCC(F)(F)C1)C2)Nc1cncnc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.51
CHRM2 P08172 12/20 0.48
CHRM1 P11229 12/20 0.48

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 SCHEMBL2795527 0.99 CHRM3 (0.50) CHRM3CHRM2CHRM1
Bromide SCHEMBL2795525 0.99 CHRM3 (0.50) CHRM3CHRM2CHRM1
SCHEMBL2933533 0.90 CHRM3 (0.50) CHRM3CHRM2CHRM1
SCHEMBL2933536 0.90 CHRM3 (0.50) CHRM3CHRM2CHRM1
Bromide SCHEMBL2795432 0.89 CHRM3 (0.51) CHRM3CHRM2CHRM1
Bromide SCHEMBL2795430 0.89 CHRM3 (0.51) CHRM3CHRM2CHRM1
SCHEMBL2934466 0.89 CHRM3 (0.61) CHRM3CHRM2CHRM1
SCHEMBL2934465 0.89 CHRM3 (0.61) CHRM3CHRM2CHRM1
SCHEMBL2929814 0.88 CHRM3 (0.51) CHRM3CHRM2CHRM1
SCHEMBL2927385 0.88 CHRM3 (0.51) 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