SCHEMBL7352709

SCHEMBL7352709

CC(C)=C1Oc2cccc(OCC#CCN3CCC(NC(=O)c4ccc(F)cc4)CC3)c2C1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.45
HTR1A P08908 1/20 0.45
MCHR1 Q99705 3/20 0.44
SLC6A12 P48065 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CCR3 P51677 3/20 0.41
HTR2A P28223 4/20 0.40
DRD2 P14416 4/20 0.40
DRD3 P35462 3/20 0.40
KMT2A Q03164 2/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD4 P21917 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
SSTR5 P35346 1/20 0.38

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
SCHEMBL7345537 0.93 SLC6A5 (0.44) HTR7HTR1AHTR2ADRD2DRD3
SCHEMBL7356138 0.93 DRD4 (0.38) HTR7HTR1AMCHR1SLC6A12TMEM97
SCHEMBL7346919 0.89 UTS2R (0.42) HTR7HTR1AMCHR1HTR2ADRD2
SCHEMBL6466592 0.86 HTR7 (0.55) HTR7HTR1AMCHR1SLC6A12TMEM97
SCHEMBL7346054 0.85 CNR2 (0.40) HTR7HTR1AKMT2ASSTR5
SCHEMBL6462598 0.85 HTR7 (0.54) HTR7HTR1AMCHR1SLC6A12TMEM97
SCHEMBL6458101 0.85 HTR7 (0.54) HTR7HTR1AMCHR1SLC6A12TMEM97
SCHEMBL7353904 0.84 MCHR1 (0.55) MCHR1SLC6A12TMEM97SIGMAR1CCR3
SCHEMBL6457221 0.84 HTR7 (0.55) HTR7HTR1AMCHR1SLC6A12TMEM97
SCHEMBL7347807 0.84 HTR7 (0.53) HTR7HTR1AMCHR1SLC6A12TMEM97

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
US-6307051-B1 UROKINASE-TYPE PLASMINOGEN ACTIVATOR ANTAGONISTS AND HAVE ANTITUMOR AND ANTIMETASTATIC ACTIVITY. ROCHE DIAGNOSTICS GMBH (DE) 2001-10-23 US disclosed
EP-1026165-A1 O-substituted Hydroxycoumaranone derivatives as antitumor and antimetastatic agents Roche Diagnostics GmbH (DE) 2000-08-09 EP disclosed