SCHEMBL18322896

SCHEMBL18322896

Cc1ccc2cc(-c3ccc(OC4CCN(CCC=O)CC4)cc3)cnc2c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.38
SRC P12931 2/20 0.38
KCNH2 Q12809 2/20 0.38
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
ACHE P22303 2/20 0.37
CHRM4 P08173 2/20 0.37
WNT1 P04628 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
PDGFRB P09619 2/20 0.36
PDGFRA P16234 2/20 0.36
MAP4K1 Q92918 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL18322866 0.90 PDGFRB (0.47) HRH3SRCKCNH2PDGFRBPDGFRA
SCHEMBL18322938 0.87 CHRNB1 (0.43) HRH3KCNH2DYRK1APDGFRBPDGFRA
SCHEMBL18322902 0.85 PDGFRB (0.47) HRH3KCNH2PDGFRBPDGFRAMAP4K1
SCHEMBL18322946 0.84 HTR7 (0.37) HRH3KCNH2HTR2AHTR7ACHE
SCHEMBL18322916 0.82 GSK3B (0.45) WNT1CLK2CLK3GSK3BDYRK1A
SCHEMBL18318522 0.80 PIK3CD (0.45)
SCHEMBL18318438 0.79 LMNA (0.44) HRH3SRCKCNH2
SCHEMBL18322886 0.79 TGFBR1 (0.44) HRH3HTR2AACHE
SCHEMBL18322904 0.79 GSK3B (0.42) HRH3KCNH2GSK3B
SCHEMBL18322981 0.79 ROCK1 (0.43) HRH3WNT1CLK2CLK3GSK3B

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-3310441-A1 1, 4-SUBSTITUTED PIPERIDINE DERIVATIVES Cephalon, Inc. (US) 2018-04-25 EP disclosed
WO-2016205633-A1 1, 4-SUBSTITUTED PIPERIDINE DERIVATIVES CEPHALON, INC. (US) 2016-12-22 WO disclosed