SCHEMBL6203587

SCHEMBL6203587

CC(c1ccccc1)C1CC(=O)CC(C(C)c2ccccc2)N1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
GAA P10253 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.36
GRM7 Q14831 2/20 0.35
HPGD P15428 1/20 0.35
GRM4 Q14833 1/20 0.35
CYP2D6 P10635 1/20 0.34
DAO P14920 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL12676322 0.72 GAA (0.47) ALDH1A1MCOLN3GAAKMT2APKM
SCHEMBL12676277 0.72 GAA (0.47) ALDH1A1MCOLN3GAAKMT2APKM
SCHEMBL26720612 0.71 SLC6A3 (0.54) ALDH1A1GAA
SCHEMBL12296177 0.70 PNMT (0.37) ALDH1A1GAAKMT2AGRM7DAO
SCHEMBL12733121 0.70 ALDH1A1 (0.35) ALDH1A1MCOLN3GAAKMT2APKM
SCHEMBL18625769 0.69 ALDH1A1 (0.38) ALDH1A1MCOLN3GAAKMT2APKM
SCHEMBL9433318 0.68 SYK (0.43) ALDH1A1MCOLN3KMT2AHPGD
SCHEMBL11625723 0.68 RAB9A (0.50) ALDH1A1MCOLN3GAAKMT2APKM
SCHEMBL4762196 0.68 ALDH1A1 (0.46) ALDH1A1MCOLN3GAAKMT2APKM
SCHEMBL3829715 0.68 ALDH1A1 (0.39) ALDH1A1MCOLN3GAAKMT2APKM

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