SCHEMBL14239776

SCHEMBL14239776

c1cc(O[C@H]2CC[C@H](OC3CCNCC3)CC2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.58
IKBKB O14920 4/20 0.54
CHUK O15111 4/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
PRKCZ Q05513 2/20 0.46
ROCK1 Q13464 4/20 0.45
DYRK3 O43781 1/20 0.45
ROCK2 O75116 1/20 0.45
MAP4K4 O95819 1/20 0.45
PIM1 P11309 1/20 0.45
PRKACA P17612 1/20 0.45
RPS6KB1 P23443 1/20 0.45
AKT1 P31749 1/20 0.45
CLK2 P49760 1/20 0.45
PRKX P51817 1/20 0.45
PRKG2 Q13237 1/20 0.45
DYRK1A Q13627 1/20 0.45
PRKG1 Q13976 1/20 0.45
PKN2 Q16513 1/20 0.45

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
SCHEMBL31540088 1.00 HRH1 (0.58) HRH1IKBKBCHUKCHRNB2CHRNA4
SCHEMBL187501 0.93 HRH1 (0.66) HRH1IKBKBCHUKCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL639360 0.91 HRH1 (0.63) HRH1IKBKBCHUKCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL2877569 0.91 HRH1 (0.63) HRH1IKBKBCHUKCHRNB2CHRNA4
SCHEMBL31540092 0.83 HRH1 (0.43) HRH1IKBKBCHUKCHRNB2CHRNA4
SCHEMBL20400026 0.83 HRH1 (0.43) HRH1IKBKBCHUKCHRNB2CHRNA4
SCHEMBL2266554 0.82 CHRNB2 (0.66) HRH1IKBKBCHUKCHRNB2CHRNA4
SCHEMBL2264511 0.82 CHRNB2 (0.66) HRH1IKBKBCHUKCHRNB2CHRNA4
SCHEMBL2110195 0.82 CHRNB2 (0.66) HRH1IKBKBCHUKCHRNB2CHRNA4
SCHEMBL3088213 0.77 HRH1 (0.46) HRH1IKBKBCHUKCHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012170702-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2012-12-13 WO disclosed