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SCHEMBL6820576

SCHEMBL6820576

COCC(C=C1Oc2cccc(OCCCCN3CCC(NC(=O)c4ccc(Cl)c(Cl)c4)CC3)c2C1=O)OC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 8/20 0.43
▸ HTR7 P34969 5/20 0.42
▸ HTR1A P08908 2/20 0.42
▸ POLB P06746 1/20 0.40
▸ SLC2A1 P11166 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ CCR5 P51681 1/20 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
SCHEMBL6823860 0.87 UTS2R (0.49) UTS2RHTR7HTR1APOLBDRD2
SCHEMBL6823855 0.87 UTS2R (0.49) UTS2RHTR7HTR1APOLBDRD2
SCHEMBL6820570 0.86 UTS2R (0.42) UTS2RHTR7HTR1APOLBACHE
SCHEMBL6824745 0.85 HTR7 (0.45) UTS2RHTR7HTR1APOLBDRD2
SCHEMBL6823394 0.85 HTR7 (0.45) UTS2RHTR7HTR1A
SCHEMBL6823893 0.85 HTR7 (0.45) UTS2RHTR7HTR1A
SCHEMBL6823555 0.85 HTR7 (0.45) UTS2RHTR7HTR1A
SCHEMBL6823956 0.85 HTR7 (0.47) UTS2RHTR7HTR1ADRD2HTR2A
SCHEMBL6820574 0.84 HTR7 (0.47) UTS2RHTR7HTR1APOLBACHE
SCHEMBL6381981 0.83 HTR7 (0.49) UTS2RHTR7HTR1APOLBDRD2

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