SCHEMBL9356973

SCHEMBL9356973

CCCN(CCC)C1Cc2c[nH]c3ccc(OC(=O)OC)c(c23)C1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.66
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
HTR1D P28221 8/20 0.49
HTR1B P28222 8/20 0.49
DRD2 P14416 2/20 0.49

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
SCHEMBL9357270 0.91 HTR1A (0.64) HTR1AMTNR1AMTNR1BHTR1DHTR1B
Sulfuric Acid SCHEMBL9873208 0.86 HTR1A (0.66) HTR1AMTNR1AMTNR1BHTR1DHTR1B
SCHEMBL6890172 0.86 HTR1A (0.65) HTR1AMTNR1AMTNR1BHTR1DHTR1B
SCHEMBL9790402 0.85 HTR1A (0.62) HTR1AHTR1DHTR1BDRD2
Hydrochloric Acid SCHEMBL7716614 0.85 HTR1A (0.64) HTR1AMTNR1AMTNR1BHTR1DHTR1B
SCHEMBL10340387 0.82 HTR1A (0.60) HTR1AMTNR1AMTNR1BHTR1DHTR1B
SCHEMBL9558592 0.81 HTR1A (0.75) HTR1AHTR1DHTR1BDRD2
SCHEMBL9536727 0.81 HTR1A (0.57) HTR1AMTNR1AMTNR1BHTR1DHTR1B
SCHEMBL9531561 0.81 HTR1A (0.59) HTR1AMTNR1AMTNR1BHTR1DHTR1B
SCHEMBL7208944 0.81 HTR1A (0.81) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0392768-B1 Tetrahydrobenz[C,D] indole serotonin agonists LILLY CO ELI (US) 1994-12-07 EP claimed