SCHEMBL8506249

SCHEMBL8506249

CCC(C)c1ccc2[nH]cc(CCN3C=CCC3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 11/20 0.54
▸ HTR1B P28222 10/20 0.54
▸ MPO P05164 3/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ HTR1A P08908 5/20 0.38

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
SCHEMBL8507874 0.81 HTR1D (0.80) HTR1DHTR1BMPOHTR2A
SCHEMBL8507140 0.81 HTR1D (0.58) HTR1DHTR1BMPOHTR2AHTR1A
SCHEMBL22643882 0.78 HTR1D (0.58) HTR1DHTR1BMPOHTR2AHTR1A
SCHEMBL8506245 0.75 HTR1D (0.37) HTR1DHTR1BHTR2A
SCHEMBL8507362 0.70 HTR1D (1.00) HTR1DHTR1BMPOHTR2A
SCHEMBL8506246 0.69 SLC6A4 (0.62) HTR1DHTR1B
SCHEMBL10574079 0.69 HTR2A (0.62) HTR1DHTR1BMPOHTR2AHTR1A
SCHEMBL20077509 0.68 HTR1D (0.44) HTR1DHTR1BHTR2A
SCHEMBL23030468 0.67 HTR1D (0.43) HTR1DHTR1BHTR2A
SCHEMBL22643951 0.67 HTR1D (0.75) HTR1DHTR1BMPOHTR2AHTR1A

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-5998462-A SEROTONIN RECEPTOR ANTAGONIST ALLELIX BIOPHARMACEUTICALS INC. (CA) 1999-12-07 — — US disclosed
WO-1998027089-A1 5-ALKYL INDOLE COMPOUNDS AS 5-HT1D-LIKE LIGANDS ALLELIX BIOPHARMACEUTICALS INC. (CA) 1998-06-25 — — WO disclosed
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