SCHEMBL8553726

SCHEMBL8553726

c1ccc2c(c1)COCC21CCN(CCCCN2CCC3(CC2)COCc2ccccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.56
EBP Q15125 1/20 0.52

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
SCHEMBL7436502 0.91 SIGMAR1 (0.56) SIGMAR1
SCHEMBL8553729 0.88 SIGMAR1 (0.48) SIGMAR1EBP
SCHEMBL1588028 0.83 SIGMAR1 (0.66) SIGMAR1
SCHEMBL7431242 0.82 HTR1A (0.56)
SCHEMBL8690038 0.82 SIGMAR1 (0.40) SIGMAR1EBP
SCHEMBL7440266 0.82 HTR1A (0.55)
SCHEMBL7428553 0.82 HTR1A (0.55)
SCHEMBL29793198 0.81 SIGMAR1 (0.33) SIGMAR1
SCHEMBL19828185 0.81 SIGMAR1 (0.33) SIGMAR1
SCHEMBL8013750 0.78 SIGMAR1 (0.83) SIGMAR1EBP

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