SCHEMBL6458101

SCHEMBL6458101

CC(C)=C1Oc2cccc(OCCCCCCN3CCC(NC(=O)c4ccc(F)cc4)CC3)c2C1=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.54
HTR1A P08908 4/20 0.54
MCHR1 Q99705 2/20 0.45
SLC6A12 P48065 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
DRD2 P14416 5/20 0.44
HTR2A P28223 4/20 0.44
DRD3 P35462 3/20 0.44
POLB P06746 1/20 0.42
HTR6 P50406 1/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
SLC6A5 Q9Y345 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
SCHEMBL6462598 1.00 HTR7 (0.54) HTR7HTR1AMCHR1SLC6A12TMEM97
SCHEMBL6466592 0.97 HTR7 (0.55) HTR7HTR1AMCHR1SLC6A12TMEM97
SCHEMBL6457221 0.94 HTR7 (0.55) HTR7HTR1AMCHR1SLC6A12TMEM97
SCHEMBL7347807 0.92 HTR7 (0.53) HTR7HTR1AMCHR1SLC6A12TMEM97
SCHEMBL6457611 0.92 SLC6A5 (0.51) HTR7HTR1ADRD2HTR2ADRD3
SCHEMBL6462987 0.91 HTR7 (0.47) HTR7HTR1APOLBADRA1DADRA1A
SCHEMBL6457124 0.91 ADRA1D (0.50) HTR7HTR1ADRD2HTR2ADRD3
SCHEMBL6461236 0.90 HTR7 (0.46) HTR7HTR1APOLBADRA1DADRA1A
SCHEMBL6463130 0.89 POLB (0.51) HTR7HTR1AHTR2ADRD3POLB
SCHEMBL6467624 0.88 HRH2 (0.55) HTR7HTR1ADRD2HTR2ADRD3

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
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