SCHEMBL27788694

SCHEMBL27788694

N=C(NCc1ccco1)N1CCN(C(=O)C(O)(c2ccccc2)C2CCCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 20/20 0.55
▸ CHRM2 P08172 3/20 0.53
▸ CHRM1 P11229 3/20 0.53

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
SCHEMBL1997975 1.00 CHRM3 (0.55) CHRM3CHRM2CHRM1
SCHEMBL1997731 0.86 ALDH1A1 (0.52) CHRM3CHRM2CHRM1
SCHEMBL1997749 0.86 CHRM3 (0.64) CHRM3CHRM2CHRM1
SCHEMBL2000222 0.83 CHRM3 (0.55) CHRM3CHRM2CHRM1
SCHEMBL1998248 0.83 ALDH1A1 (0.55) CHRM3CHRM2CHRM1
SCHEMBL9906136 0.82 CHRM3 (0.58) CHRM3CHRM2CHRM1
SCHEMBL1997996 0.82 CHRM3 (0.58) CHRM3CHRM2CHRM1
SCHEMBL12160546 0.82 CHRM3 (0.67) CHRM3CHRM2CHRM1
SCHEMBL2003623 0.82 CHRM3 (0.57) CHRM3CHRM2CHRM1
SCHEMBL2001705 0.82 CHRM3 (0.57) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101796026-B Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE INC 2013-10-23 — — CN claimed
CN-101796026-A Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE INC 2010-08-04 — — CN claimed
CN-101796026-B Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE INC 2013-10-23 — — CN disclosed
CN-101796026-A Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE INC 2010-08-04 — — CN disclosed
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