SCHEMBL9357232

SCHEMBL9357232

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 6/20 0.52
HTR1B P28222 6/20 0.52
HTR1A P08908 3/20 0.51
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
DRD2 P14416 4/20 0.43
DRD4 P21917 1/20 0.37
DRD3 P35462 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
SCHEMBL8891553 0.93 HTR1A (0.49) HTR1DHTR1BHTR1AMTNR1AMTNR1B
Oxalic Acid SCHEMBL7513247 0.89 HTR1A (0.47) HTR1DHTR1BHTR1AMTNR1AMTNR1B
Bromide SCHEMBL7513869 0.89 HTR1A (0.49) HTR1DHTR1BHTR1AMTNR1AMTNR1B
SCHEMBL8890771 0.88 HTR1D (0.47) HTR1DHTR1BHTR1AMTNR1AMTNR1B
SCHEMBL7201548 0.88 HTR1A (0.48) HTR1DHTR1BHTR1AMTNR1AMTNR1B
SCHEMBL8891420 0.84 MTNR1A (0.52) HTR1DHTR1BHTR1AMTNR1AMTNR1B
SCHEMBL7516393 0.80 HTR1A (0.49) HTR1DHTR1BHTR1AMTNR1AMTNR1B
SCHEMBL8891187 0.79 HTR1A (0.45) HTR1DHTR1BHTR1AMTNR1AMTNR1B
SCHEMBL9532979 0.79 MTNR1A (0.64) HTR1DHTR1BMTNR1AMTNR1BDRD2
SCHEMBL8889776 0.77 HTR1A (0.83) HTR1DHTR1BHTR1ADRD2

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 disclosed