SCHEMBL6176837

SCHEMBL6176837

NC(=O)Cc1ccccc1.O=C(NC1C2CNCC21)C(O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.52
CHRM1 P11229 4/20 0.52
CHRM3 P20309 4/20 0.52

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
SCHEMBL5947915 1.00 CHRM2 (0.52) CHRM2CHRM1CHRM3
SCHEMBL5948317 0.89 KEAP1 (0.56) CHRM2CHRM1CHRM3
SCHEMBL5948028 0.89 KEAP1 (0.56) CHRM2CHRM1CHRM3
SCHEMBL5948427 0.89 KEAP1 (0.56) CHRM2CHRM1CHRM3
SCHEMBL5948024 0.88 KEAP1 (0.57) CHRM2CHRM1CHRM3
SCHEMBL4076565 0.88 KEAP1 (0.57) CHRM2CHRM1CHRM3
SCHEMBL5948420 0.85 KEAP1 (0.54) CHRM2CHRM1CHRM3
SCHEMBL5948417 0.85 KEAP1 (0.54) CHRM2CHRM1CHRM3
SCHEMBL5948016 0.83 CHRM2 (0.49) CHRM2CHRM1CHRM3
SCHEMBL5948018 0.83 CHRM2 (0.49) CHRM2CHRM1CHRM3

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-1590325-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2005-11-02 EP disclosed
WO-2004067510-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-08-12 WO disclosed