SCHEMBL6726534

SCHEMBL6726534

CN1CCC(Oc2ccc3[nH]cc(C(=O)Nc4ccncc4)c3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 17/20 0.49
HTR1D P28221 13/20 0.49
HTR1B P28222 12/20 0.49
HTR1A P08908 12/20 0.49
CLK2 P49760 2/20 0.43
CLK3 P49761 2/20 0.43
DYRK1A Q13627 2/20 0.43
MAPK7 Q13164 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
SCHEMBL6724813 0.85 HTR1A (0.55) HTR1FHTR1DHTR1BHTR1A
SCHEMBL6722245 0.82 HTR1F (0.51) HTR1FHTR1DHTR1BHTR1A
SCHEMBL6726471 0.80 HTR1A (0.52) HTR1FHTR1DHTR1BHTR1A
SCHEMBL6670992 0.78 HTR1F (0.47) HTR1FHTR1DHTR1BHTR1A
SCHEMBL6722057 0.77 HTR1F (0.47) HTR1FHTR1DHTR1BHTR1A
SCHEMBL6724677 0.71 HTR1F (0.42) HTR1FHTR1DHTR1BHTR1A
SCHEMBL6724792 0.69 HTR1A (0.49) HTR1FHTR1DHTR1BHTR1A
SCHEMBL10267501 0.69 HTR1F (0.54) HTR1FHTR1DHTR1BHTR1ACLK2
SCHEMBL6726991 0.69 HTR1A (0.48) HTR1FHTR1DHTR1BHTR1A
Hydrochloric Acid SCHEMBL4496228 0.68 HTR1F (0.53) HTR1FHTR1DHTR1BHTR1ACLK2

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