SCHEMBL4276964

SCHEMBL4276964

CC(C(=O)O)(c1cccs1)N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 16/20 0.58
GAA P10253 1/20 0.41
CYP2B6 P20813 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL27792973 0.87 CHRM3 (0.46) CHRM3
SCHEMBL2126693 0.82 CHRM3 (0.61) CHRM3ALDH1A1SMN1; SMN2
SCHEMBL4738397 0.76 CHRM3 (0.77) CHRM3
SCHEMBL2127676 0.76 CYP2B6 (0.59) CHRM3CYP2B6
SCHEMBL4444477 0.76 CYP2B6 (0.59) CHRM3CYP2B6
SCHEMBL3043721 0.76 CYP2B6 (0.59) CHRM3CYP2B6
SCHEMBL2126740 0.76 CYP2B6 (0.59) CHRM3CYP2B6
SCHEMBL3309137 0.74 CHRM3 (0.44) CHRM3GAACYP2B6MEN1KMT2A
SCHEMBL7592805 0.74 CHRM3 (0.57) CHRM3GAACYP2B6SMN1; SMN2
SCHEMBL11019030 0.74 CHRM3 (0.43) CHRM3GAACYP2B6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121137-B1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2012-04-25 EP disclosed
WO-2009153536-A1 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2009-12-23 WO disclosed
WO-2009153536-A1 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2009-12-23 WO disclosed
CN-101610813-A Quinuclidinol derivatives as muscarinic receptor antagonist ASTRAZENECA AB (SE) 2009-12-23 CN disclosed
WO-2008075005-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed