SCHEMBL6722245

SCHEMBL6722245

CN1CCC(Oc2ccc3[nH]cc(C(=O)O)c3n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 18/20 0.51
HTR1D P28221 13/20 0.51
HTR1B P28222 12/20 0.51
HTR1A P08908 10/20 0.44
TDO2 P48775 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR1E P28566 1/20 0.42
HTR6 P50406 1/20 0.42
HTR4 Q13639 1/20 0.42

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 0.94 HTR1F (0.47) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL6724677 0.88 HTR1F (0.42) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL6670992 0.85 HTR1F (0.47) HTR1FHTR1DHTR1BHTR1ATDO2
SCHEMBL6726534 0.82 HTR1F (0.49) HTR1FHTR1DHTR1BHTR1A
SCHEMBL6724813 0.81 HTR1A (0.55) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL6724521 0.78 PRKAB2 (0.46) HTR1FHTR1DHTR1B
SCHEMBL6724740 0.77 PRKAB2 (0.52) HTR1FHTR1DHTR1B
SCHEMBL6667683 0.76 MTNR1A (0.53) HTR1FHTR1DHTR1B
SCHEMBL30267364 0.76 MTNR1A (0.53) HTR1FHTR1DHTR1B
SCHEMBL6726471 0.76 HTR1A (0.52) HTR1FHTR1DHTR1BHTR1AHTR2A

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