SCHEMBL7204471

SCHEMBL7204471

CC(C)Cc1ccccc1C(=O)Cc1ccc2[nH]cc(CC3CCCN3C)c2c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 8/20 0.60
HTR1D P28221 5/20 0.60
HTR1A P08908 3/20 0.56
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 0.54
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 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
SCHEMBL7203983 0.93 HTR1B (0.57) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL7207634 0.86 HTR1B (0.60) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL7206907 0.86 HTR1B (0.60) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL7204096 0.86 HTR1B (0.62) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL7201317 0.85 HTR1B (0.59) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL7207819 0.85 HTR1B (0.61) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL7207798 0.85 HTR1B (0.61) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL7203991 0.84 HTR1B (0.62) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL7202917 0.84 HTR1B (0.59) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL7200807 0.84 HTR1B (0.61) 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