SCHEMBL6180854

SCHEMBL6180854

O=C(N[C@@]1(Cc2ccccc2)CCNC1)C(O)(c1ccccc1)C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 0.47
CHRM2 P08172 12/20 0.47
CHRM1 P11229 12/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 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
SCHEMBL1035119 0.71 PPIA (0.42)
SCHEMBL5310455 0.70 TACR1 (0.47)
SCHEMBL6589522 0.69 CHRM2 (0.69) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL13592145 0.69 CHRM2 (0.69) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL7972011 0.69 SLC6A2 (0.37)
SCHEMBL13592129 0.69 CHRM2 (0.67) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL4619902 0.68 KEAP1 (0.68) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL5119960 0.68 CHRM2 (0.60) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL5948024 0.67 KEAP1 (0.57) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL4076565 0.67 KEAP1 (0.57) CHRM3CHRM2CHRM1KEAP1NFE2L2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583741-A1 1-SUBSTITUTED-3-PYRROLIDINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories, Limited (IN) 2005-10-12 EP claimed
WO-2004056767-A1 1-SUBSTITUTED-3-PYRROLIDINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-07-08 WO claimed
EP-1583741-A1 1-SUBSTITUTED-3-PYRROLIDINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories, Limited (IN) 2005-10-12 EP disclosed
WO-2004056767-A1 1-SUBSTITUTED-3-PYRROLIDINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-07-08 WO disclosed