SCHEMBL6455348

SCHEMBL6455348

CCCCCCC=C1Oc2cccc(OCCCN3CCC(NC(=O)c4ccc(F)cc4)CC3)c2C1=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.49
HTR1A P08908 2/20 0.49
SLC6A5 Q9Y345 1/20 0.43
CCR1 P32246 1/20 0.42
MCHR1 Q99705 2/20 0.41
SLC6A12 P48065 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
DRD2 P14416 4/20 0.40
HTR2A P28223 3/20 0.40
DRD3 P35462 3/20 0.40
POLB P06746 1/20 0.40
HTR6 P50406 1/20 0.40
CNR2 P34972 1/20 0.40
KCNH2 Q12809 2/20 0.39
SSTR5 P35346 2/20 0.39

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
SCHEMBL6455344 0.83 HTR7 (0.52) HTR7HTR1ASLC6A5MCHR1SLC6A12
SCHEMBL6466592 0.83 HTR7 (0.55) HTR7HTR1ASLC6A5MCHR1SLC6A12
SCHEMBL6462598 0.82 HTR7 (0.54) HTR7HTR1ASLC6A5MCHR1SLC6A12
SCHEMBL6458101 0.82 HTR7 (0.54) HTR7HTR1ASLC6A5MCHR1SLC6A12
SCHEMBL6457855 0.80 HTR7 (0.53) HTR7HTR1ASLC6A5MCHR1SLC6A12
SCHEMBL6823762 0.80 HTR2A (0.45) HTR7HTR1AMCHR1DRD2HTR2A
SCHEMBL6457221 0.78 HTR7 (0.55) HTR7HTR1AMCHR1SLC6A12TMEM97
SCHEMBL6820570 0.78 UTS2R (0.42) HTR7HTR1ADRD2HTR2APOLB
SCHEMBL6462987 0.77 HTR7 (0.47) HTR7HTR1APOLB
SCHEMBL6823893 0.77 HTR7 (0.45) HTR7HTR1A

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