SCHEMBL8914786

SCHEMBL8914786

CN(CCc1c[nH]c2ccc(Br)cc12)Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.71
SLC6A4 P31645 3/20 0.61
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
HTR2A P28223 6/20 0.54
HTR1A P08908 5/20 0.54
HTR1D P28221 4/20 0.54
DRD2 P14416 2/20 0.54
HTR7 P34969 2/20 0.54
HTR1B P28222 2/20 0.54
HTR2C P28335 2/20 0.54
HTR2B P41595 2/20 0.54
ADRA2A P08913 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
SLC6A2 P23975 1/20 0.54
ADRA1D P25100 1/20 0.54
HTR1E P28566 1/20 0.54
ADRA1A P35348 1/20 0.54
HRH1 P35367 1/20 0.54

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
SCHEMBL2404720 0.85 HTR6 (0.71) HTR6SLC6A4LMNAGAAHTR2A
SCHEMBL8416479 0.85 HTR6 (0.71) HTR6SLC6A4LMNAGAAHTR2A
SCHEMBL25172857 0.84 LMNA (0.76) HTR6SLC6A4LMNAGAAHTR2A
SCHEMBL10745433 0.84 HTR6 (0.69) HTR6SLC6A4LMNAGAAHTR2A
SCHEMBL25169578 0.84 CDK4 (0.60) HTR6SLC6A4LMNAGAAHTR2A
SCHEMBL24723334 0.83 HTR6 (1.00) HTR6SLC6A4HTR2AHTR1AHTR1D
SCHEMBL2406783 0.83 HTR6 (0.68) HTR6SLC6A4LMNAGAAHTR2A
SCHEMBL9830738 0.82 HTR6 (0.67) HTR6SLC6A4LMNAGAAHTR1D
SCHEMBL29471382 0.81 SLC6A4 (0.83) HTR6SLC6A4HTR2AHTR1AHTR1D
SCHEMBL517473 0.81 SLC6A4 (0.83) HTR6SLC6A4HTR2AHTR1AHTR1D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607960-A Indole derivatives as 5-HT1-like agonists for use in migraine PFIZER INC. (US) 1997-03-04 US disclosed
EP-0695301-B1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LTD (GB) 1996-10-30 EP disclosed
CN-1121348-A Indole derivatives as 5-H1-like agonists for use in migraine PFIZER RES & DEV (IE) 1996-04-24 CN disclosed
WO-1994024127-A1 INDOLE DERIVATIVES AS 5-H1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LIMITED (GB) 1994-10-27 WO disclosed