SCHEMBL6463130

SCHEMBL6463130

COc1ccc(C(=O)NC2CCN(CCCOc3cccc4c3C(=O)C(=C(C)C)O4)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
HTR7 P34969 2/20 0.46
HTR1A P08908 1/20 0.46
KMT2A Q03164 4/20 0.45
HRH2 P25021 3/20 0.45
HRH1 P35367 3/20 0.45
CCR3 P51677 1/20 0.44
DRD4 P21917 1/20 0.43
MEN1 O00255 3/20 0.43
SLC6A5 Q9Y345 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SLC2A1 P11166 1/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL6462987 0.92 HTR7 (0.47) POLBHTR7HTR1AHRH2HRH1
SCHEMBL6466592 0.92 HTR7 (0.55) POLBHTR7HTR1AHRH2HRH1
SCHEMBL6457124 0.92 ADRA1D (0.50) POLBHTR7HTR1AHRH2HRH1
SCHEMBL6461236 0.91 HTR7 (0.46) POLBHTR7HTR1AHRH2HRH1
SCHEMBL6462598 0.89 HTR7 (0.54) POLBHTR7HTR1ASLC6A5HTR2A
SCHEMBL6458101 0.89 HTR7 (0.54) POLBHTR7HTR1ASLC6A5HTR2A
SCHEMBL6472358 0.89 DRD4 (0.56) POLBHTR7HTR1ADRD4DRD3
SCHEMBL6467624 0.89 HRH2 (0.55) POLBHTR7HTR1AHRH2HRH1
SCHEMBL6451907 0.89 POLB (0.50) POLBHTR7HTR1AALDH1A1
SCHEMBL6457611 0.88 SLC6A5 (0.51) HTR7HTR1ADRD4SLC6A5HTR2A

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