SCHEMBL7207529

SCHEMBL7207529

COc1cccc(OC)c1C(=O)Cc1ccc2[nH]cc(CC3CCCN3C)c2c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 8/20 0.62
HTR1D P28221 5/20 0.62
HTR1A P08908 3/20 0.61
HTR2A P28223 2/20 0.58
CHRM2 P08172 1/20 0.56
ADRA2A P08913 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD1 P21728 1/20 0.56
SLC6A2 P23975 1/20 0.56
OPRM1 P35372 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
HTR6 P50406 8/20 0.53
NOS3 P29474 2/20 0.51
NOS1 P29475 2/20 0.51

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) HTR1BHTR1DHTR1AHTR2ACHRM2
SCHEMBL7203986 0.87 HTR1B (0.64) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL7204959 0.87 HTR1B (0.68) HTR1BHTR1DHTR1AHTR2ACHRM2
SCHEMBL7204468 0.85 HTR1B (0.68) HTR1BHTR1DHTR1AHTR2ACHRM2
SCHEMBL7200807 0.83 HTR1B (0.61) HTR1BHTR1DHTR1AHTR2ACHRM2
SCHEMBL7202549 0.83 HTR1B (0.65) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL7203991 0.82 HTR1B (0.62) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL7205447 0.82 HTR1B (0.62) HTR1BHTR1DHTR1AHTR2ACHRM2
SCHEMBL7206060 0.82 HTR1B (0.62) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL7203994 0.82 HTR1B (0.62) HTR1BHTR1DHTR1ACHRM2ADRA2A

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