SCHEMBL5880902

SCHEMBL5880902

C1=CC(NCCCc2ccccc2)C2=Nc3ccccc3C2=C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.38
GRIN2B Q13224 8/20 0.38
GRIN1 Q05586 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34
FUCA1 P04066 2/20 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
SCHEMBL5881024 0.95 SIGMAR1 (0.39) SIGMAR1GRIN2BGRIN1FUCA1
SCHEMBL5881066 0.93 GRIN2B (0.35) SIGMAR1GRIN2BFUCA1
SCHEMBL5881020 0.79 TDP1 (0.33) MEN1KMT2A
SCHEMBL28856438 0.73 MAOA (0.32) SIGMAR1
SCHEMBL5881023 0.71
SCHEMBL5881085 0.70 ALDH1A1 (0.35) MEN1KMT2AHPGD
SCHEMBL28102667 0.67 IDO1 (0.31)
SCHEMBL28253806 0.67
SCHEMBL3976323 0.67
SCHEMBL4566706 0.65

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