SCHEMBL8306321

SCHEMBL8306321

CC1(C)Cc2cccc(N3CCN(CCCN4CCN(C5CCCCC5)C4=O)CC3)c2O1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
SLC6A4 P31645 1/20 0.47
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
DRD1 P21728 2/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL6766552 0.98 HTR1A (0.47) HTR1AHTR1DHTR1BSLC6A4GRIN1
SCHEMBL8306292 0.96 HTR1A (0.47) HTR1AHTR1DHTR1BSLC6A4GRIN1
Oxalic Acid SCHEMBL8157336 0.96 HTR1A (0.44) HTR1AHTR1DHTR1BSLC6A4POLB
SCHEMBL8142921 0.94 HTR1A (0.49) HTR1AHTR1DHTR1BSLC6A4POLB
Oxalic Acid SCHEMBL8153432 0.92 HTR1A (0.44) HTR1AHTR1DHTR1BSLC6A4POLB
SCHEMBL8156185 0.84 SIGMAR1 (0.35) GRIN1GRIN2BDRD3
SCHEMBL8305321 0.84 ADRA1B (0.38) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL8157677 0.82 DRD2 (0.36) HTR1ADRD2DRD3DRD4
Oxalic Acid SCHEMBL8148211 0.81 FFAR4 (0.38) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL8154891 0.80 HTR1A (0.55) HTR1ADRD2

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-0673375-B1 FUSED BENZO COMPOUNDS LUNDBECK & CO AS H (DK) 1999-02-24 EP claimed