SCHEMBL2596205

SCHEMBL2596205

CC(C)(C)N1CCC(c2cc3cccc(F)c3o2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.40
BCHE P06276 6/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
MAPK14 Q16539 4/20 0.36
MAPK11 Q15759 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 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
SCHEMBL14740197 0.79 BCHE (0.39) ACHEBCHECA12CA1CA2
SCHEMBL2593078 0.77 BCHE (0.59) ACHEBCHECA12CA1CA2
SCHEMBL8300989 0.70 QDPR (0.45) ACHEBCHECHRM2CHRM4CHRM5
SCHEMBL8300351 0.68 SLC6A2 (0.59) ACHEBCHECA12CA1CA2
SCHEMBL29876097 0.66 MAOA (0.44) ACHEBCHECA12CA1CA2
SCHEMBL28792227 0.66 MAOA (0.44) ACHEBCHECA12CA1CA2
SCHEMBL4788341 0.66 CA12 (0.49) CA12CA1CA2CA9
SCHEMBL15530574 0.66 HTR1D (0.39) MAPK14MAPK11
SCHEMBL28792307 0.65 SLC6A2 (0.53) CA12CA1CA2CA9SLC6A2
SCHEMBL29876774 0.65 SLC6A2 (0.53) CA12CA1CA2CA9SLC6A2

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-2566862-A1 BENZOFURANYL ANALOGUES AS GPR119 MODULATORS Bristol-Myers Squibb Company (US) 2013-03-13 EP disclosed
WO-2011140161-A1 BENZOFURANYL ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 WO disclosed