SCHEMBL7205447

SCHEMBL7205447

CN1CCCC1Cc1c[nH]c2ccc(CC(=O)c3cccc(Cl)c3)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 10/20 0.62
HTR1D P28221 7/20 0.62
HTR6 P50406 10/20 0.59
HTR1A P08908 5/20 0.59
HTR2A P28223 2/20 0.59
HTR2C P28335 2/20 0.59
HTR1F P30939 2/20 0.59
HTR7 P34969 2/20 0.59
DRD3 P35462 1/20 0.59
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
GABRP O00591 1/20 0.51
GABRD O14764 1/20 0.51
GABRA1 P14867 1/20 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
SCHEMBL7208529 0.92 HTR1B (0.65) HTR1BHTR1DHTR6HTR1AHTR2A
SCHEMBL7202549 0.90 HTR1B (0.65) HTR1BHTR1DHTR6HTR1ACHRM2
SCHEMBL7206060 0.89 HTR1B (0.62) HTR1BHTR1DHTR6HTR1ACHRM2
SCHEMBL7203994 0.89 HTR1B (0.62) HTR1BHTR1DHTR6HTR1ACHRM2
SCHEMBL7199516 0.89 HTR1B (0.62) HTR1BHTR1DHTR6HTR1AHTR2A
SCHEMBL7204959 0.89 HTR1B (0.68) HTR1BHTR1DHTR6HTR1AHTR2A
SCHEMBL7203990 0.88 HTR1B (0.67) HTR1BHTR1DHTR6HTR1ACHRM2
SCHEMBL7207634 0.88 HTR1B (0.60) HTR1BHTR1DHTR6HTR1ACHRM2
SCHEMBL7206420 0.88 HTR1B (0.61) HTR1BHTR1DHTR6HTR1AHTR2A
SCHEMBL7205101 0.87 HTR1B (0.64) HTR1BHTR1DHTR6HTR1AHTR2A

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 2 patents. 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
WO-2000034266-A1 INDOLE DERIVATIVES AND THEIR USE AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2000-06-15 WO disclosed