SCHEMBL14239291

SCHEMBL14239291

Nc1cnccc1O[C@H]1CC[C@H](OC2CCNCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.50
CHUK O15111 7/20 0.50
ROCK1 Q13464 5/20 0.46
LCK P06239 2/20 0.46
ROCK2 O75116 2/20 0.45
CDC42BPB Q9Y5S2 2/20 0.45
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
AKT1 P31749 1/20 0.43
CDC42BPA Q5VT25 1/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
PIM1 P11309 3/20 0.40
PIM3 Q86V86 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
ATR Q13535 1/20 0.40
PRKCZ Q05513 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL15791316 0.94 IKBKB (0.55) IKBKBCHUKROCK1LCKROCK2
SCHEMBL22040965 0.86 IKBKB (0.40) IKBKBCHUKROCK1LCKROCK2
SCHEMBL31342868 0.86 IKBKB (0.40) IKBKBCHUKROCK1LCKROCK2
SCHEMBL14239774 0.83 IKBKB (0.50) IKBKBCHUKROCK1LCKROCK2
SCHEMBL14157632 0.83 IKBKB (0.50) IKBKBCHUKROCK1LCKROCK2
SCHEMBL14239779 0.83 IKBKB (0.50) IKBKBCHUKROCK1LCKROCK2
SCHEMBL14239781 0.82 IKBKB (0.49) IKBKBCHUKROCK1LCKROCK2
SCHEMBL14239771 0.81 IKBKB (0.48) IKBKBCHUKROCK1LCKROCK2
SCHEMBL30309967 0.80 MKNK1 (0.44) IKBKBCHUKROCK1LCKROCK2
SCHEMBL15779202 0.80 MKNK1 (0.43) IKBKBCHUKROCK1ROCK2CDC42BPB

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