SCHEMBL6820544

SCHEMBL6820544

CC(CCC(C)N1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1)Oc1cccc2c1C(=O)C(=CCC1CC1)O2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 12/20 0.38
ACHE P22303 1/20 0.37
HTR7 P34969 1/20 0.36
PTK2 Q05397 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SSTR5 P35346 1/20 0.34
KCNH2 Q12809 1/20 0.34
SLC2A1 P11166 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL6824418 0.87 HTR7 (0.40) UTS2RACHEHTR7PTK2MEN1
SCHEMBL6824544 0.85 HTR7 (0.40) UTS2RACHEHTR7PTK2MEN1
SCHEMBL6820547 0.83 UTS2R (0.41) UTS2RACHEHTR7SSTR5KCNH2
SCHEMBL6826209 0.81 PTK2 (0.46) UTS2RACHEHTR7PTK2MEN1
SCHEMBL6823394 0.81 HTR7 (0.45) UTS2RHTR7MEN1KMT2A
SCHEMBL6823893 0.81 HTR7 (0.45) UTS2RHTR7MEN1KMT2A
SCHEMBL6823555 0.81 HTR7 (0.45) UTS2RHTR7MEN1KMT2A
SCHEMBL6824127 0.77 HTR7 (0.45) UTS2RACHEHTR7PTK2SSTR5
SCHEMBL6824129 0.76 HTR7 (0.43) UTS2RHTR7MEN1KMT2A
SCHEMBL6824327 0.73 HTR7 (0.42) UTS2RACHEHTR7SSTR5KCNH2

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