SCHEMBL6820571

SCHEMBL6820571

CC1(C)Oc2cccc(OCCCCN3CCC(NC(=O)c4ccc(Cl)c(Cl)c4)CC3)c2C1=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.49
UTS2R Q9UKP6 9/20 0.48
HTR7 P34969 5/20 0.48
HTR1A P08908 2/20 0.47
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL6823920 0.89 PTK2 (0.45) PTK2UTS2RHTR7HTR1A
SCHEMBL6823918 0.88 PTK2 (0.47) PTK2UTS2RHTR7HTR1A
SCHEMBL6826210 0.87 PTK2 (0.44) PTK2UTS2RHTR7HTR1ADRD2
SCHEMBL6381981 0.83 HTR7 (0.49) UTS2RHTR7HTR1ADRD2HTR2A
SCHEMBL6823956 0.82 HTR7 (0.47) UTS2RHTR7HTR1ADRD2HTR2A
SCHEMBL6824741 0.82 HTR7 (0.47) UTS2RHTR7HTR1ADRD2HTR2A
SCHEMBL6823392 0.82 HTR7 (0.49) UTS2RHTR7HTR1ADRD2HTR2A
SCHEMBL6820545 0.81 HTR7 (0.50) UTS2RHTR7HTR1ADRD2HTR2A
SCHEMBL6820574 0.81 HTR7 (0.47) UTS2RHTR7HTR1ADRD2HTR2A
SCHEMBL6823860 0.81 UTS2R (0.49) UTS2RHTR7HTR1ADRD2HTR2A

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