SCHEMBL8693479

SCHEMBL8693479

COc1ccc2[nH]cc(C3=CCN(CC(O)COc4cccc5[nH]ccc45)CC3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.59
DRD2 P14416 11/20 0.59
SLC6A4 P31645 4/20 0.56
HTR2A P28223 3/20 0.54
DRD1 P21728 1/20 0.53
DRD3 P35462 1/20 0.53
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50

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
SCHEMBL7885700 1.00 HTR1A (0.59) HTR1ADRD2SLC6A4HTR2ADRD1
SCHEMBL8695028 0.94 HTR1A (0.58) HTR1ADRD2SLC6A4HTR2AADRA1D
SCHEMBL8872506 0.94 HTR1A (0.58) HTR1ADRD2SLC6A4HTR2AADRA1D
SCHEMBL9057865 0.91 HTR1A (0.62) HTR1ADRD2SLC6A4HTR2ADRD1
SCHEMBL7885650 0.89 HTR1A (0.59) HTR1ADRD2SLC6A4HTR2ADRD3
SCHEMBL8695915 0.89 HTR1A (0.59) HTR1ADRD2SLC6A4HTR2ADRD3
SCHEMBL8698666 0.89 HTR1A (0.55) HTR1ADRD2SLC6A4HTR2AADRA1D
SCHEMBL7887609 0.89 HTR1A (0.55) HTR1ADRD2SLC6A4HTR2AADRA1D
SCHEMBL7883019 0.87 HTR1A (0.60) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL8690982 0.85 HTR1A (0.60) HTR1ASLC6A4ADRA1DADRA1AADRA1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5789402-A Compounds having effects on serotonin-related systems ELI LILLY COMPANY (US) 1998-08-04 US disclosed
US-5741789-A HETERO-OXY ALKANAMINES ELI LILLY AND COMPANY (US) 1998-04-21 US disclosed