SCHEMBL5881024

SCHEMBL5881024

C1=CC(NCCCCCCc2ccccc2)C2=Nc3ccccc3C2=C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.39
GRIN2B Q13224 5/20 0.39
FUCA1 P04066 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GRIN1 Q05586 1/20 0.34
NAAA Q02083 1/20 0.33

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
SCHEMBL5880902 0.95 SIGMAR1 (0.38) SIGMAR1GRIN2BFUCA1GRIN1
SCHEMBL5881066 0.90 GRIN2B (0.35) SIGMAR1GRIN2BFUCA1L3MBTL1
SCHEMBL5881020 0.77 TDP1 (0.33)
SCHEMBL28856438 0.73 MAOA (0.32) SIGMAR1
SCHEMBL5881023 0.70
SCHEMBL5881085 0.68 ALDH1A1 (0.35)
SCHEMBL28102667 0.66 IDO1 (0.31)
SCHEMBL28253806 0.65
SCHEMBL3976323 0.65
SCHEMBL4566706 0.64

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
US-7122570-B2 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) ZENTARIS AG (DE) 2006-10-17 US disclosed