SCHEMBL8201472

SCHEMBL8201472

CN1CCCC1Cc1c[nH]c2ccc(OC3CCCCC3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 1.00
HTR1B P28222 7/20 0.78
HTR1A P08908 2/20 0.78
HTR1D P28221 5/20 0.68

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
SCHEMBL8201469 1.00 HTR6 (1.00) HTR6HTR1BHTR1AHTR1D
SCHEMBL8790464 0.87 HTR1B (1.00) HTR6HTR1BHTR1AHTR1D
SCHEMBL5819877 0.87 HTR1B (1.00) HTR6HTR1BHTR1AHTR1D
SCHEMBL5819875 0.87 HTR1B (1.00) HTR6HTR1BHTR1AHTR1D
SCHEMBL8790505 0.86 HTR1B (0.93) HTR6HTR1BHTR1AHTR1D
SCHEMBL8790496 0.86 HTR1B (0.93) HTR6HTR1BHTR1AHTR1D
SCHEMBL8932357 0.83 HTR1B (0.76) HTR6HTR1BHTR1AHTR1D
SCHEMBL8932358 0.83 HTR1B (0.76) HTR6HTR1BHTR1AHTR1D
SCHEMBL1122175 0.82 HTR1B (0.76) HTR6HTR1BHTR1AHTR1D
SCHEMBL1122542 0.82 HTR1B (0.76) HTR6HTR1BHTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100291-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-08-08 US disclosed