SCHEMBL5778913

SCHEMBL5778913

O=c1[nH]cccc1CN1CCC(C#Cc2ccc(OCC3CCCCC3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.39
PARP15 Q460N3 3/20 0.39
PARP10 Q53GL7 3/20 0.39
SIGMAR1 Q99720 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL5778916 0.85 DCPS (0.36)
Oxalic Acid SCHEMBL5781174 0.81 MEN1 (0.39)
SCHEMBL5779801 0.80 HPGD (0.42) GRM2PARP15PARP10HPGD
SCHEMBL5782831 0.79 HTR2A (0.52) SIGMAR1
SCHEMBL5777663 0.79 CXCR4 (0.43)
SCHEMBL5781110 0.76 KCNH2 (0.43)
Oxalic Acid SCHEMBL5778829 0.75 MEN1 (0.46)
SCHEMBL5779854 0.75 MEN1 (0.45)
SCHEMBL5784012 0.74 MAPT (0.40)
SCHEMBL5780290 0.74 KCNH2 (0.42)

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
EP-1254904-B1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2006-05-24 EP claimed