SCHEMBL6683869

SCHEMBL6683869

CCNCC1=CCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.47
ADRB2 P07550 1/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
HTR7 P34969 2/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
HTR5A P47898 1/20 0.34
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
NQO2 P16083 1/20 0.31
DRD3 P35462 1/20 0.31
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL6666864 0.86 HTR6 (0.45) HTR6ADRB2MTNR1AMTNR1BHTR7
SCHEMBL1604010 0.82 HTR6 (0.45) HTR6ADRB2MTNR1AMTNR1BHTR7
SCHEMBL5859128 0.81 HTR6 (0.50) HTR6MTNR1AMTNR1BHTR7NQO2
SCHEMBL6552816 0.80 HTR6 (0.53) HTR6MTNR1AMTNR1BHTR7
SCHEMBL14080845 0.76 CA12 (0.33) HTR6ADRB2MTNR1AMTNR1BHTR7
SCHEMBL6683586 0.76 GAA (0.53) HTR6HTR2AGAAALDH1A1
SCHEMBL31121639 0.76 HTR6 (0.56) HTR6MTNR1AMTNR1BHTR7NQO2
SCHEMBL7618202 0.76 HTR6 (0.67) HTR6ADRB2HTR7HTR1AHTR2A
SCHEMBL2338975 0.76 HTR6 (0.56) HTR6MTNR1AMTNR1BHTR7NQO2
SCHEMBL6664305 0.75 HTR6 (0.42) HTR6MTNR1AMTNR1BNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359916-A4 IMIDAZOLYL DERIVATIVES AS CORTICOTROPIN RELEASING FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2004-04-07 EP disclosed
EP-1359916-A1 IMIDAZOLYL DERIVATIVES AS CORTICOTROPIN RELEASING FACTOR INHIBITORS Bristol-Myers Squibb Company (US) 2003-11-12 EP disclosed
WO-2002058704-A1 IMIDAZOLYL DERIVATIVES AS CORTICOTROPIN RELEASING FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 WO disclosed