SCHEMBL7202917

SCHEMBL7202917

CN1CCCC1Cc1c[nH]c2ccc(CC(=O)c3ccccc3[N+](=O)[O-])cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 8/20 0.59
HTR1D P28221 5/20 0.59
GABRP O00591 1/20 0.59
GABRD O14764 1/20 0.59
GABRA1 P14867 1/20 0.59
GABRB1 P18505 1/20 0.59
GABRG2 P18507 1/20 0.59
GABRB3 P28472 1/20 0.59
GABRA5 P31644 1/20 0.59
GABRA3 P34903 1/20 0.59
GABRA2 P47869 1/20 0.59
GABRB2 P47870 1/20 0.59
GABRA4 P48169 1/20 0.59
GABRE P78334 1/20 0.59
GABRA6 Q16445 1/20 0.59
GABRG1 Q8N1C3 1/20 0.59
GABRG3 Q99928 1/20 0.59
GABRQ Q9UN88 1/20 0.59
HTR1A P08908 3/20 0.56
CHRM2 P08172 1/20 0.56

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
SCHEMBL7203985 0.88 HTR1B (0.57) HTR1BHTR1DGABRPGABRDGABRA1
SCHEMBL7207819 0.84 HTR1B (0.61) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL7207798 0.84 HTR1B (0.61) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL7202923 0.84 HTR1B (0.58) HTR1BHTR1DGABRPGABRDGABRA1
SCHEMBL7204471 0.84 HTR1B (0.60) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL7203991 0.83 HTR1B (0.62) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL7200807 0.83 HTR1B (0.61) HTR1BHTR1DGABRPGABRDGABRA1
SCHEMBL7205389 0.83 HTR1B (0.61) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL7201475 0.83 HTR1B (0.61) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL7208706 0.83 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