SCHEMBL7201548

SCHEMBL7201548

CCCNC1Cc2c[nH]c3ccc(C(=O)C(C)C)c(c23)C1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.48
HTR1D P28221 6/20 0.47
HTR1B P28222 6/20 0.47
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
DRD2 P14416 4/20 0.39
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL9357232 0.88 HTR1D (0.52) HTR1AHTR1DHTR1BMTNR1AMTNR1B
Oxalic Acid SCHEMBL7513247 0.86 HTR1A (0.47) HTR1AHTR1DHTR1BMTNR1AMTNR1B
Bromide SCHEMBL7513869 0.86 HTR1A (0.49) HTR1AHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL8890771 0.83 HTR1D (0.47) HTR1AHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL8891553 0.81 HTR1A (0.49) HTR1AHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL7208815 0.78 HTR1A (0.78) HTR1AHTR1DHTR1BDRD2
SCHEMBL7204648 0.78 HTR1A (0.78) HTR1AHTR1DHTR1BDRD2
SCHEMBL7516393 0.77 HTR1A (0.49) HTR1AHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL9532979 0.76 MTNR1A (0.64) HTR1DHTR1BMTNR1AMTNR1BDRD2
Phosphoric Acid SCHEMBL7509101 0.74 HTR1A (0.46) HTR1AHTR1DHTR1BMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0471576-B1 6-substituted-tetrahydrobenz[cd]indoles LILLY CO ELI (US) 2003-03-12 EP claimed
US-5229409-A Antidepressant, tranquilizer ELI LILLY AND COMPANY (US) 1993-07-20 US claimed
EP-0471576-B1 6-substituted-tetrahydrobenz[cd]indoles LILLY CO ELI (US) 2003-03-12 EP disclosed
US-5229409-A Antidepressant, tranquilizer ELI LILLY AND COMPANY (US) 1993-07-20 US disclosed