SCHEMBL7203067

SCHEMBL7203067

CCC(=O)c1ccc2[nH]cc3c2c1CC(N(CC)CC)C3

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.67
HTR1D P28221 6/20 0.44
HTR1B P28222 5/20 0.44
DRD2 P14416 2/20 0.44
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL7208944 0.91 HTR1A (0.81) HTR1AHTR1DHTR1BDRD2
SCHEMBL8891818 0.89 HTR1A (0.68) HTR1AHTR1DHTR1BDRD2
SCHEMBL7509146 0.88 HTR1A (0.67) HTR1AHTR1DHTR1BDRD2
Iodide SCHEMBL7510396 0.87 HTR1A (0.65) HTR1AHTR1DHTR1BDRD2
Acetic Acid SCHEMBL7515123 0.85 HTR1A (0.66) HTR1AHTR1DHTR1BDRD2
SCHEMBL7203091 0.85 HTR1A (0.69) HTR1AHTR1DHTR1BDRD2
SCHEMBL7209681 0.83 HTR1A (0.80) HTR1AHTR1DHTR1BDRD2
SCHEMBL7514239 0.82 HTR1A (0.74) HTR1AHTR1DHTR1BDRD2
SCHEMBL9558592 0.80 HTR1A (0.75) HTR1AHTR1DHTR1BDRD2
SCHEMBL8889776 0.80 HTR1A (0.83) HTR1AHTR1DHTR1BDRD2

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