SCHEMBL7204468

SCHEMBL7204468

COc1ccc(C(=O)Cc2ccc3[nH]cc(CC4CCCN4C)c3c2)c(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 11/20 0.68
HTR1A P08908 3/20 0.68
HTR1D P28221 8/20 0.59
HTR6 P50406 6/20 0.55
CHRM2 P08172 1/20 0.51
ADRA2A P08913 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD1 P21728 1/20 0.51
SLC6A2 P23975 1/20 0.51
OPRM1 P35372 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
HTR2A P28223 1/20 0.48

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
SCHEMBL7207798 0.90 HTR1B (0.61) HTR1BHTR1AHTR1DHTR6CHRM2
SCHEMBL7204959 0.86 HTR1B (0.68) HTR1BHTR1AHTR1DHTR6CHRM2
SCHEMBL7207529 0.85 HTR1B (0.62) HTR1BHTR1AHTR1DHTR6CHRM2
SCHEMBL7200807 0.83 HTR1B (0.61) HTR1BHTR1AHTR1DHTR6CHRM2
SCHEMBL5819877 0.82 HTR1B (1.00) HTR1BHTR1AHTR1DHTR6
SCHEMBL5819875 0.82 HTR1B (1.00) HTR1BHTR1AHTR1DHTR6
SCHEMBL8790464 0.82 HTR1B (1.00) HTR1BHTR1AHTR1DHTR6
SCHEMBL7202293 0.82 HTR1B (0.62) HTR1BHTR1AHTR1DHTR6CHRM2
SCHEMBL7202248 0.82 HTR1B (0.62) HTR1BHTR1AHTR1DHTR6CHRM2
SCHEMBL7204116 0.82 HTR1B (0.62) HTR1BHTR1AHTR1DHTR6CHRM2

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
US-6608079-B1 Activating serotonin-1F receptors, inhibiting neuronal protein extravasation, treating migraine ELI LILLY AND COMPANY 2003-08-19 US disclosed