SCHEMBL2930451

SCHEMBL2930451

O=C(C[N+]12CCC(CC1)C(OC(=O)[C@](O)(c1ccsc1)C1CCCCC1)C2)Nc1ncncn1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.47
CHRM2 P08172 6/20 0.47
CHRM1 P11229 6/20 0.47

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
SCHEMBL2930452 1.00 CHRM3 (0.47) CHRM3CHRM2CHRM1
Bromide SCHEMBL2798492 0.99 CHRM3 (0.47) CHRM3CHRM2CHRM1
Bromide SCHEMBL2798494 0.99 CHRM3 (0.47) CHRM3CHRM2CHRM1
SCHEMBL2931985 0.99 CHRM3 (0.47) CHRM3CHRM2CHRM1
SCHEMBL2931986 0.99 CHRM3 (0.47) CHRM3CHRM2CHRM1
Bromide SCHEMBL2798735 0.98 CHRM3 (0.48) CHRM3CHRM2CHRM1
Bromide SCHEMBL2798737 0.98 CHRM3 (0.48) CHRM3CHRM2CHRM1
SCHEMBL2931684 0.93 CHRM3 (0.49) CHRM3CHRM2CHRM1
SCHEMBL2931681 0.93 CHRM3 (0.49) CHRM3CHRM2CHRM1
Bromide SCHEMBL2795818 0.92 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