SCHEMBL6204679

SCHEMBL6204679

CC1(Cc2ccccc2)CC(CO)CC(C)(Cc2ccccc2)N1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.37
MAOA P21397 7/20 0.37
MAOB P27338 7/20 0.37
KDM1A O60341 4/20 0.37
GBA1 P04062 1/20 0.36
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GLB1 P16278 1/20 0.33
GBA2 Q9HCG7 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL22982234 0.73 MEN1 (0.35) GAALMNAMAOAMAOBKDM1A
SCHEMBL23927554 0.71 MAOA (0.40) LMNAMAOAMAOBKDM1AHPGD
SCHEMBL8312339 0.70 MAOA (0.45) GAAMAOAMAOBKDM1ATP53
SCHEMBL10775573 0.68 ALDH1A1 (0.43) GAALMNAKDM1AALDH1A1TSHR
SCHEMBL18396745 0.66 CREBBP (0.39) LMNAMAOAMAOBKDM1AALDH1A1
SCHEMBL2374703 0.65 MAOA (0.54) GAAMAOAMAOBKDM1ATP53
SCHEMBL17063291 0.65 MEN1 (0.41) GAAGBA1TSHR
SCHEMBL1558534 0.65 GBA1 (0.48) GAALMNAKDM1AGBA1ALDH1A1
SCHEMBL14828724 0.63 MAOA (0.42) MAOAMAOBKDM1AALDH1A1TSHR
SCHEMBL11369040 0.63 OPRL1 (0.45) GAALMNAMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549278-A4 M sb 3 /sb MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2005-12-14 EP disclosed
EP-1549278-A2 M sb 3 /sb MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-07-06 EP disclosed
WO-2004012684-A2 M3MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-02-12 WO disclosed