SCHEMBL8686140

SCHEMBL8686140

CN1CCC[C@@H]1Cc1c[nH]c2ccc(-c3ccsc3)cc12

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 9/20 0.65
HTR1D P28221 7/20 0.65
HTR1A P08908 2/20 0.62
HTR6 P50406 7/20 0.60
NOS3 P29474 2/20 0.54
NOS1 P29475 2/20 0.54

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
SCHEMBL8686137 1.00 HTR1B (0.65) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8979700 0.85 HTR1B (0.68) HTR1BHTR1DHTR1AHTR6
SCHEMBL8688634 0.82 HTR1B (0.67) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8686525 0.82 HTR1B (0.67) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8688640 0.82 HTR1B (0.67) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8979694 0.80 HTR1B (0.64) HTR1BHTR1DHTR1AHTR6
SCHEMBL8208343 0.79 HTR1B (1.00) HTR1BHTR1DHTR1AHTR6
SCHEMBL8208346 0.79 HTR1B (1.00) HTR1BHTR1DHTR1AHTR6
SCHEMBL8508432 0.79 HTR1B (1.00) HTR1BHTR1DHTR1AHTR6
SCHEMBL8979714 0.79 HTR1B (0.63) HTR1BHTR1DHTR1AHTR6

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-5770742-A SEROTONIN RECEPTOR SELECTIVITY, MIGRAINES ALLELIX BIOPHARMACEUTICALS INC. (CA) 1998-06-23 US disclosed
WO-1997043281-A1 THIOPHENE- AND FURAN-TRYPTAMINE DERIVATIVES ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-11-20 WO disclosed