SCHEMBL5881066

SCHEMBL5881066

C1=CC(NCCc2ccccc2)C2=Nc3ccccc3C2=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.35
GLB1 P16278 1/20 0.35
FUCA1 P04066 2/20 0.33
ADRA1A P35348 2/20 0.32
TAAR1 Q96RJ0 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
HRH2 P25021 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
LMNA P02545 3/20 0.32
ATM Q13315 1/20 0.32
NPC1 O15118 1/20 0.32
KDM1A O60341 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTR1A P08908 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
SCHEMBL5881023 0.73
SCHEMBL28856438 0.70 MAOA (0.32) ADRA1ADRD3SLC6A3MAOASLC6A2
SCHEMBL28102667 0.69 IDO1 (0.31) IDO1
SCHEMBL3976323 0.68
SCHEMBL28253806 0.68
SCHEMBL4566706 0.67
SCHEMBL5881053 0.66 CYP19A1 (0.35) CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL28285476 0.65 TTK (0.30)
SCHEMBL3979369 0.65
SCHEMBL27871198 0.58 SIGMAR1 (0.47) GRIN2BGLB1ADRA1ATAAR1CHRM2

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