SCHEMBL6381981

SCHEMBL6381981

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.49
UTS2R Q9UKP6 8/20 0.47
HTR1A P08908 2/20 0.47
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
DRD4 P21917 2/20 0.43
POLB P06746 1/20 0.42
CCR5 P51681 1/20 0.42
SSTR5 P35346 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL6823392 0.93 HTR7 (0.49) HTR7UTS2RHTR1ADRD2HTR2A
SCHEMBL7351045 0.93 HTR7 (0.47) HTR7UTS2RHTR1ASSTR5KCNH2
SCHEMBL6824741 0.92 HTR7 (0.47) HTR7UTS2RHTR1ADRD2HTR2A
SCHEMBL6820545 0.92 HTR7 (0.50) HTR7UTS2RHTR1ADRD2HTR2A
SCHEMBL6820574 0.91 HTR7 (0.47) HTR7UTS2RHTR1ADRD2HTR2A
SCHEMBL6820561 0.90 UTS2R (0.45) HTR7UTS2RHTR1ADRD2SSTR5
SCHEMBL6378452 0.90 HTR7 (0.46) HTR7UTS2RHTR1ADRD2HTR2A
SCHEMBL6824180 0.90 UTS2R (0.49) HTR7UTS2RHTR1APOLBCCR5
SCHEMBL6824129 0.89 HTR7 (0.43) HTR7UTS2RHTR1ADRD4CCR5
SCHEMBL6824342 0.88 HTR7 (0.43) HTR7UTS2RHTR1ASSTR5KCNH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1012147-B1 O-SUBSTITUTED HYDROXYCUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC AGENTS HOFFMANN LA ROCHE (CH) 2005-11-02 EP claimed
US-6200989-B1 ADMINISTERING AS UROKINASE PLASMINOGEN ACTIVATOR ANTAGONISTS, ANTITUMOR AND ANTIMETASTASIS AGENTS HOFFMANN-LA ROCHE INC. 2001-03-13 US claimed
EP-1012147-A2 O-SUBSTITUTED HYDROXYCUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-28 EP claimed
WO-1999006387-A2 O-SUBSTITUTED HYDROXYCUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1999-02-11 WO claimed
EP-1012147-B1 O-SUBSTITUTED HYDROXYCUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC AGENTS HOFFMANN LA ROCHE (CH) 2005-11-02 EP disclosed
US-6200989-B1 ADMINISTERING AS UROKINASE PLASMINOGEN ACTIVATOR ANTAGONISTS, ANTITUMOR AND ANTIMETASTASIS AGENTS HOFFMANN-LA ROCHE INC. 2001-03-13 US disclosed