SCHEMBL6823893

SCHEMBL6823893

O=C(NC1CCN(CCCCOc2cccc3c2C(=O)/C(=C/CC2CC2)O3)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.45
HTR1A P08908 1/20 0.45
UTS2R Q9UKP6 11/20 0.44
DRD4 P21917 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6823394 1.00 HTR7 (0.45) HTR7HTR1AUTS2RDRD4MEN1
SCHEMBL6823555 1.00 HTR7 (0.45) HTR7HTR1AUTS2RDRD4MEN1
SCHEMBL6823928 0.92 HTR7 (0.55) HTR7HTR1ADRD4
SCHEMBL6820569 0.92 HTR7 (0.55) HTR7HTR1ADRD4
SCHEMBL6823762 0.92 HTR2A (0.45) HTR7HTR1ADRD4MEN1KMT2A
SCHEMBL6824547 0.92 HTR7 (0.42) HTR7HTR1AUTS2RDRD4
SCHEMBL6824327 0.92 HTR7 (0.42) HTR7HTR1AUTS2RDRD4
SCHEMBL6823855 0.88 UTS2R (0.49) HTR7HTR1AUTS2RDRD4
SCHEMBL6823860 0.88 UTS2R (0.49) HTR7HTR1AUTS2RDRD4
SCHEMBL6820547 0.88 UTS2R (0.41) HTR7HTR1AUTS2R

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-2004076444-A2 NOVEL HYDROXYCOUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC F. HOFFMANN-LA ROCHE AG (CH) 2004-09-10 WO claimed
WO-2004076444-A2 NOVEL HYDROXYCOUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC F. HOFFMANN-LA ROCHE AG (CH) 2004-09-10 WO disclosed