SCHEMBL6820547

SCHEMBL6820547

CCC(CCCN1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1)Oc1cccc2c1C(=O)C(=CCC1CC1)O2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 14/20 0.41
HTR7 P34969 2/20 0.38
CCR5 P51681 1/20 0.37
ACHE P22303 1/20 0.37
SSTR5 P35346 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTR1A P08908 1/20 0.36

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 0.88 HTR7 (0.45) UTS2RHTR7HTR1A
SCHEMBL6823893 0.88 HTR7 (0.45) UTS2RHTR7HTR1A
SCHEMBL6823555 0.88 HTR7 (0.45) UTS2RHTR7HTR1A
SCHEMBL6824422 0.87 HTR7 (0.42) UTS2RHTR7CCR5SSTR5KCNH2
SCHEMBL6820544 0.83 UTS2R (0.38) UTS2RHTR7ACHESSTR5KCNH2
SCHEMBL6826210 0.82 PTK2 (0.44) UTS2RHTR7HTR1A
SCHEMBL6824327 0.80 HTR7 (0.42) UTS2RHTR7ACHESSTR5KCNH2
SCHEMBL6824547 0.80 HTR7 (0.42) UTS2RHTR7ACHESSTR5KCNH2
SCHEMBL6820569 0.80 HTR7 (0.55) HTR7KCNH2HTR1A
SCHEMBL6823928 0.80 HTR7 (0.55) HTR7KCNH2HTR1A

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