SCHEMBL2331555

SCHEMBL2331555

COc1cccc(C(COC(N)=O)N2CCC(CNC(=O)n3c(=O)n(C4CC4)c4ccccc43)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.44
OPRM1 P35372 6/20 0.39
OPRL1 P41146 5/20 0.39
TACR1 P25103 1/20 0.38
OPRD1 P41143 2/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ACHE P22303 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 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
SCHEMBL2335422 0.89 HTR4 (0.53) HTR4
SCHEMBL2333567 0.84 HTR4 (0.45) HTR4OPRM1OPRL1OPRD1MEN1
SCHEMBL2333316 0.83 HTR4 (0.44) HTR4OPRM1OPRL1OPRD1OPRK1
SCHEMBL2337297 0.83 HTR4 (0.48) HTR4OPRM1OPRL1OPRD1MEN1
SCHEMBL3297464 0.81 HTR4 (0.46) HTR4OPRM1OPRL1OPRD1KCNH2
Hydrochloric Acid SCHEMBL3297560 0.81 HTR4 (0.45) HTR4OPRM1OPRL1OPRD1KCNH2
SCHEMBL2334884 0.79 HTR4 (0.46) HTR4OPRM1OPRL1
SCHEMBL2338629 0.78 HTR4 (0.44) HTR4OPRM1
SCHEMBL15103640 0.75 HTR4 (0.49) HTR4OPRM1OPRL1OPRD1KCNH2
SCHEMBL18298116 0.74 HTR4 (0.42) HTR4OPRM1OPRL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358702-A2 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK Holdings Co., Ltd. (KR) 2011-08-24 EP claimed
WO-2010044585-A2 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK HOLDINGS CO., LTD. (KR) 2010-04-22 WO claimed
EP-2358702-A2 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK Holdings Co., Ltd. (KR) 2011-08-24 EP disclosed
WO-2010044585-A2 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK HOLDINGS CO., LTD. (KR) 2010-04-22 WO disclosed