SCHEMBL7347703

SCHEMBL7347703

CC(C)=C1Oc2cccc(OCc3ccccc3CN3CCC(NC(=O)c4ccc(F)cc4)CC3)c2C1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.49
SLC6A12 P48065 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46
SSTR5 P35346 3/20 0.43
POLB P06746 1/20 0.43
CCR3 P51677 3/20 0.43
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42
DRD4 P21917 3/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 1/20 0.42
TP53 P04637 1/20 0.42
ATM Q13315 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42

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
SCHEMBL7353904 0.90 MCHR1 (0.55) MCHR1SLC6A12TMEM97SIGMAR1SSTR5
SCHEMBL7347047 0.88 MCHR1 (0.47) MCHR1SLC6A12TMEM97SIGMAR1HTR1A
SCHEMBL7347684 0.88 MCHR1 (0.53) MCHR1SLC6A12TMEM97SIGMAR1SSTR5
SCHEMBL6466592 0.85 HTR7 (0.55) MCHR1SLC6A12TMEM97SIGMAR1HTR1A
SCHEMBL6462598 0.85 HTR7 (0.54) MCHR1SLC6A12TMEM97SIGMAR1HTR1A
SCHEMBL6458101 0.85 HTR7 (0.54) MCHR1SLC6A12TMEM97SIGMAR1HTR1A
SCHEMBL7352709 0.83 HTR7 (0.45) MCHR1SLC6A12TMEM97SIGMAR1HTR1A
SCHEMBL7347807 0.83 HTR7 (0.53) MCHR1SLC6A12TMEM97SIGMAR1HTR1A
SCHEMBL6457221 0.83 HTR7 (0.55) MCHR1SLC6A12TMEM97SIGMAR1HTR1A
SCHEMBL7346972 0.83 SLC6A5 (0.60) SIGMAR1HTR2ADRD4DRD2

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 3 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 claimed
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