SCHEMBL8894085

SCHEMBL8894085

c1coc(-c2ccc3[nH]cc(CCN4CCC4)c3c2)c1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 11/20 0.59
HTR1B P28222 11/20 0.59
HTR2A P28223 3/20 0.57
MPO P05164 3/20 0.56
BRD4 O60885 1/20 0.55

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
SCHEMBL8903222 0.98 HTR1D (0.62) HTR1DHTR1BHTR2AMPOBRD4
SCHEMBL8894091 0.78 SLC6A4 (0.49) HTR1DHTR1BBRD4
SCHEMBL8894945 0.78 SLC6A4 (0.60) HTR1DHTR1BBRD4
SCHEMBL26508375 0.75 MPO (0.67) HTR1DHTR1BHTR2AMPOBRD4
SCHEMBL26508379 0.75 HTR1A (0.75) HTR1DHTR1BHTR2AMPO
SCHEMBL26508359 0.75 HTR7 (0.71) HTR1DHTR1BHTR2AMPO
SCHEMBL26508389 0.75 MPO (0.67) HTR1DHTR1BHTR2AMPO
SCHEMBL26508293 0.75 HTR2A (0.70) HTR1DHTR1BHTR2AMPOBRD4
SCHEMBL26508398 0.75 MPO (0.94) HTR1DHTR1BHTR2AMPO
SCHEMBL26508337 0.75 MPO (0.67) HTR1DHTR1BHTR2AMPO

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
WO-1997043281-A1 THIOPHENE- AND FURAN-TRYPTAMINE DERIVATIVES ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-11-20 WO claimed
WO-1997043281-A1 THIOPHENE- AND FURAN-TRYPTAMINE DERIVATIVES ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-11-20 WO disclosed