SCHEMBL8553729

SCHEMBL8553729

c1ccc2c(c1)COCC21CCN(CCCCN2CCC3(CCOc4ccccc43)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.48
EBP Q15125 1/20 0.46

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
SCHEMBL8553726 0.88 SIGMAR1 (0.56) SIGMAR1EBP
SCHEMBL7436502 0.80 SIGMAR1 (0.56) SIGMAR1
SCHEMBL8554266 0.80 SIGMAR1 (0.36) SIGMAR1EBP
SCHEMBL7821093 0.74 KCNH2 (0.41) SIGMAR1EBP
SCHEMBL1588028 0.73 SIGMAR1 (0.66) SIGMAR1
SCHEMBL7431242 0.72 HTR1A (0.56)
SCHEMBL14385756 0.72 KCNH2 (0.52) SIGMAR1EBP
SCHEMBL8690038 0.72 SIGMAR1 (0.40) SIGMAR1EBP
SCHEMBL7440266 0.72 HTR1A (0.55)
SCHEMBL7428553 0.72 HTR1A (0.55)

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