SCHEMBL8554266

SCHEMBL8554266

CCCC(N1CCC2(CC1)COCc1ccccc12)N1CCC2(CCOc3ccccc32)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.36
EBP Q15125 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
KCNH2 Q12809 1/20 0.34
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32

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
SCHEMBL8553729 0.80 SIGMAR1 (0.48) SIGMAR1EBP
SCHEMBL8556730 0.75 SIGMAR1 (0.60) SIGMAR1EBP
SCHEMBL12964445 0.73 CYP2D6 (0.44) SIGMAR1EBPKCNH2IDO1TDO2
SCHEMBL14112078 0.72 CYP2D6 (0.45) OPRM1OPRL1KCNH2IDO1TDO2
SCHEMBL7821093 0.70 KCNH2 (0.41) SIGMAR1EBPOPRM1OPRL1KCNH2
SCHEMBL29793198 0.67 SIGMAR1 (0.33) SIGMAR1
SCHEMBL19828185 0.67 SIGMAR1 (0.33) SIGMAR1
SCHEMBL8553726 0.66 SIGMAR1 (0.56) SIGMAR1EBP
SCHEMBL8556699 0.66 OPRM1 (0.40) SIGMAR1OPRM1OPRL1
SCHEMBL14112073 0.66 CYP2D6 (0.46) IDO1TDO2

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-0649407-B1 DIMERIC PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES LUNDBECK & CO AS H (DK) 1998-08-05 EP claimed