SCHEMBL6451903

SCHEMBL6451903

COc1ccc(C(C)=CCC(C)NC(=O)OC(C)(C)C)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.41
ACACB O00763 4/20 0.40
GPR183 P32249 1/20 0.39
GRN P28799 2/20 0.37
SORT1 Q99523 2/20 0.37
GABRA1 P14867 1/20 0.37
TRPA1 O75762 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL3134491 0.79 NNMT (0.49) NNMTACACBGRNSORT1GABRA1
SCHEMBL5224591 0.78 CDK8 (0.39) TRPA1AAK1MKNK2CA1CA2
SCHEMBL5197286 0.76 CA1 (0.35) TRPA1AAK1CA1CA2CA4
SCHEMBL5197178 0.75 CYP1A2 (0.41) AAK1MAPTKDM4EMEN1KMT2A
SCHEMBL6462042 0.74 ACACB (0.35) ACACBTRPA1AAK1CA1CA2
SCHEMBL3910420 0.73 CHRNB2 (0.38) ACACBTRPA1AAK1CA1CA2
SCHEMBL7529061 0.72 CA2 (0.40) CA1CA2CA4CA7CA9
SCHEMBL3144727 0.70 NR3C1 (0.44) NNMTACACBTRPA1MAPTKDM4E
SCHEMBL3256038 0.70 NR3C1 (0.44) NNMTACACBTRPA1MAPTKDM4E
SCHEMBL3144717 0.70 NR3C1 (0.44) NNMTACACBTRPA1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556352-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2005-07-27 EP disclosed
WO-2004031151-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2004-04-15 WO disclosed