SCHEMBL8058252

SCHEMBL8058252

CN(C)C1CC(c2c[nH]c3ccc(NC=O)cc23)C1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 10/20 0.59
HTR1D P28221 8/20 0.59
SLC6A4 P31645 12/20 0.52
HTR1A P08908 3/20 0.52
DRD1 P21728 2/20 0.52
SLC6A2 P23975 2/20 0.52
HTR2A P28223 2/20 0.52
SLC6A3 Q01959 2/20 0.52
HTR6 P50406 1/20 0.52
HTR1F P30939 1/20 0.50

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
SCHEMBL8058248 1.00 HTR1B (0.59) HTR1BHTR1DSLC6A4HTR1ADRD1
SCHEMBL8058265 0.82 HTR1B (0.65) HTR1BHTR1DSLC6A4HTR1ADRD1
SCHEMBL7463335 0.79 APP (0.67) HTR1BHTR1DHTR1AHTR6HTR1F
SCHEMBL8631546 0.78 HTR1B (0.64) HTR1BHTR1DSLC6A4HTR1ADRD1
SCHEMBL8631543 0.77 HTR1B (0.63) HTR1BHTR1DSLC6A4HTR1ADRD1
SCHEMBL8631541 0.77 HTR1B (0.63) HTR1BHTR1DSLC6A4HTR1ADRD1
SCHEMBL20393325 0.76 HTR1D (0.54) HTR1BHTR1DHTR1AHTR6HTR1F
SCHEMBL8067512 0.75 HTR1B (0.80) HTR1BHTR1DSLC6A4HTR1ADRD1
SCHEMBL8067517 0.75 HTR1B (0.80) HTR1BHTR1DSLC6A4HTR1ADRD1
SCHEMBL9035059 0.75 HTR1B (0.74) HTR1BHTR1DSLC6A4HTR1ADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995020588-A1 INDOLE DERIVATIVES AS 5-HT1 AGONISTS THE WELLCOME FOUNDATION LIMITED (GB) 1995-08-03 WO claimed
US-6103752-A PHTHALIMIDE DERIVATIVE AS HT3 RECEPTOR ANTAGONIST GLAXO WELLCOME INC. (US) 2000-08-15 US disclosed
US-5922748-A TREATMENT OF HEADACHES AND MIGRAINES GLAXO WELLCOME INC. (US) 1999-07-13 US disclosed
US-5744466-A ANTISEROTONIN AGENT THE WELLCOME FOUNDATION LIMITED (GB) 1998-04-28 US disclosed
WO-1995020588-A1 INDOLE DERIVATIVES AS 5-HT1 AGONISTS THE WELLCOME FOUNDATION LIMITED (GB) 1995-08-03 WO disclosed