SCHEMBL7347684

SCHEMBL7347684

CC(C)=C1Oc2cccc(OCc3cccc(CN4CCC(NC(=O)c5ccc(F)cc5)CC4)c3)c2C1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.53
SLC6A12 P48065 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
CCR3 P51677 6/20 0.50
SSTR5 P35346 4/20 0.49
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46
HTR2A P28223 1/20 0.46
ACKR3 P25106 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
DRD3 P35462 1/20 0.45
ATM Q13315 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45

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 0.94 MCHR1 (0.55) MCHR1SLC6A12TMEM97SIGMAR1CCR3
SCHEMBL7350951 0.93 DRD4 (0.47) MCHR1SLC6A12TMEM97SIGMAR1SSTR5
SCHEMBL7347675 0.90 UTS2R (0.49) MCHR1SLC6A12TMEM97SSTR5ACKR3
SCHEMBL7347703 0.88 MCHR1 (0.49) MCHR1SLC6A12TMEM97SIGMAR1CCR3
SCHEMBL7347047 0.88 MCHR1 (0.47) MCHR1SLC6A12TMEM97SIGMAR1CCR3
SCHEMBL7346972 0.87 SLC6A5 (0.60) SIGMAR1HTR2AMEN1KMT2ADRD2
SCHEMBL7346827 0.86 SSTR5 (0.47) MCHR1SLC6A12TMEM97SSTR5MEN1
SCHEMBL6466592 0.85 HTR7 (0.55) MCHR1SLC6A12TMEM97SIGMAR1HTR2A
SCHEMBL6458101 0.84 HTR7 (0.54) MCHR1SLC6A12TMEM97SIGMAR1HTR2A
SCHEMBL6462598 0.84 HTR7 (0.54) MCHR1SLC6A12TMEM97SIGMAR1HTR2A

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