SCHEMBL7202990

SCHEMBL7202990

CN1CCCC1Cc1c[nH]c2ccc(CC(=O)c3cc(Br)ccc3Br)cc12

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 8/20 0.62
HTR1D P28221 5/20 0.62
HTR6 P50406 9/20 0.55
HTR1A P08908 3/20 0.54
CHRM2 P08172 1/20 0.54
ADRA2A P08913 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD1 P21728 1/20 0.54
SLC6A2 P23975 1/20 0.54
OPRM1 P35372 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47

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
SCHEMBL7203986 0.85 HTR1B (0.64) HTR1BHTR1DHTR6HTR1ACHRM2
Oxalic Acid SCHEMBL2727283 0.84 HTR1B (0.68) HTR1BHTR1DHTR6HTR1ACHRM2
Oxalic Acid SCHEMBL2725284 0.84 HTR1B (0.68) HTR1BHTR1DHTR6HTR1ACHRM2
SCHEMBL7201475 0.83 HTR1B (0.61) HTR1BHTR1DHTR6HTR1ACHRM2
SCHEMBL697582 0.82 HTR1B (0.76) HTR1BHTR1DHTR6HTR1ACHRM2
SCHEMBL2182107 0.82 HTR1B (0.76) HTR1BHTR1DHTR6HTR1ACHRM2
SCHEMBL772429 0.82 HTR1B (0.76) HTR1BHTR1DHTR6HTR1ACHRM2
SCHEMBL29827195 0.82 HTR1B (0.76) HTR1BHTR1DHTR6HTR1ACHRM2
SCHEMBL7202248 0.82 HTR1B (0.62) HTR1BHTR1DHTR6HTR1ACHRM2
SCHEMBL7208536 0.82 HTR1B (0.62) HTR1BHTR1DHTR6HTR1ACHRM2

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