SCHEMBL6683871

SCHEMBL6683871

CCN(C)C1=CCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.37
HTR2A P28223 4/20 0.33
HRH1 P35367 4/20 0.33
SLC6A2 P23975 3/20 0.33
DRD3 P35462 3/20 0.33
METAP1 P53582 2/20 0.33
SLC22A1 O15245 2/20 0.33
CACNA1F O60840 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
HTR1A P08908 2/20 0.33
CHRM5 P08912 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
CYP2D6 P10635 2/20 0.33
CHRM1 P11229 2/20 0.33
DRD2 P14416 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
CHRM3 P20309 2/20 0.33
DRD1 P21728 2/20 0.33

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
SCHEMBL6905039 0.80 MALT1 (0.38) HTR6HTR2AHRH1SLC6A2DRD3
SCHEMBL6683589 0.78 TAAR1 (0.46) SIGMAR1
SCHEMBL6906313 0.74 CES1 (0.45) HTR6LMNAKDM4EMEN1KMT2A
SCHEMBL6552816 0.68 HTR6 (0.53) HTR6KDM4EKMT2ATP53NPSR1
SCHEMBL28168366 0.67
SCHEMBL20429136 0.66 SMN1; SMN2 (0.35) HTR2AHRH1DRD2HTR2CADRA1A
SCHEMBL25176054 0.65 PTPRC (0.44) HTR6HSD17B10ALDH1A1KDM4EMEN1
SCHEMBL5859128 0.65 HTR6 (0.50) HTR6DRD3SIGMAR1KMT2ANPSR1
SCHEMBL308273 0.65 HTR6 (0.40) HTR6NFKB1ALDH1A1KDM4EMAPT
SCHEMBL6369476 0.64 HTR6 (0.37) HTR6DRD4KMT2ATSHR

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