SCHEMBL6724677

SCHEMBL6724677

CN1CC(Oc2ccc3[nH]cc(C(=O)O)c3n2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 12/20 0.42
HTR1D P28221 10/20 0.42
HTR1B P28222 10/20 0.42
PRKAG1 P54619 3/20 0.37
PRKAA1 Q13131 3/20 0.37
PRKAB1 Q9Y478 3/20 0.37
PRKAB2 O43741 2/20 0.37
PRKAA2 P54646 2/20 0.37
PRKAG3 Q9UGI9 2/20 0.37
PRKAG2 Q9UGJ0 2/20 0.37
HTR1A P08908 7/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
MTNR1A P48039 1/20 0.36

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
SCHEMBL6722057 0.92 HTR1F (0.47) HTR1FHTR1DHTR1BPRKAG1PRKAA1
SCHEMBL6722245 0.88 HTR1F (0.51) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL6667683 0.78 MTNR1A (0.53) HTR1FHTR1DHTR1BPRKAG1PRKAA1
SCHEMBL30267364 0.78 MTNR1A (0.53) HTR1FHTR1DHTR1BPRKAG1PRKAA1
SCHEMBL6728722 0.78 MAPT (0.44) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL6724521 0.75 PRKAB2 (0.46) HTR1FHTR1DHTR1BPRKAG1PRKAA1
SCHEMBL6671364 0.75 ALDH1A1 (0.40) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL6724740 0.75 PRKAB2 (0.52) HTR1FHTR1DHTR1BPRKAG1PRKAA1
SCHEMBL6670992 0.74 HTR1F (0.47) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL6726471 0.73 HTR1A (0.52) HTR1FHTR1DHTR1BHTR1AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673811-B1 TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS NEUROGEN CORPORATION 2004-01-06 US claimed
US-6673811-B1 TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS NEUROGEN CORPORATION 2004-01-06 US disclosed