SCHEMBL6461236

SCHEMBL6461236

CC(C)=C1Oc2cccc(OCCCN3CCC(NC(=O)c4ccc(Br)cc4)CC3)c2C1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.46
HTR1A P08908 2/20 0.46
POLB P06746 1/20 0.44
UTS2R Q9UKP6 2/20 0.42
HRH2 P25021 2/20 0.42
HRH1 P35367 2/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
CHRM1 P11229 1/20 0.40
DRD4 P21917 2/20 0.40
SLC6A5 Q9Y345 1/20 0.40

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
SCHEMBL7351795 0.93 HTR7 (0.44) HTR7HTR1APOLBUTS2RCARM1
SCHEMBL6462987 0.93 HTR7 (0.47) HTR7HTR1APOLBHRH2HRH1
SCHEMBL6466592 0.93 HTR7 (0.55) HTR7HTR1APOLBHRH2HRH1
SCHEMBL6457124 0.93 ADRA1D (0.50) HTR7HTR1APOLBHRH2HRH1
SCHEMBL6463130 0.91 POLB (0.51) HTR7HTR1APOLBHRH2HRH1
SCHEMBL6451227 0.90 KMT2A (0.48) HTR7HTR1APOLBADRA1DADRA1A
SCHEMBL6458101 0.90 HTR7 (0.54) HTR7HTR1APOLBADRA1DADRA1A
SCHEMBL6462598 0.90 HTR7 (0.54) HTR7HTR1APOLBADRA1DADRA1A
SCHEMBL6467624 0.90 HRH2 (0.55) HTR7HTR1APOLBHRH2HRH1
SCHEMBL6457611 0.89 SLC6A5 (0.51) HTR7HTR1ADRD4SLC6A5

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