SCHEMBL7350951

SCHEMBL7350951

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.45
MCHR1 Q99705 3/20 0.44
SLC6A12 P48065 2/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SLC6A5 Q9Y345 1/20 0.43
SSTR5 P35346 1/20 0.43
SLC6A13 Q9NSD5 1/20 0.42
CCR5 P51681 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
SCHEMBL7347684 0.93 MCHR1 (0.53) DRD4KMT2AMEN1MCHR1SLC6A12
SCHEMBL7347675 0.90 UTS2R (0.49) DRD4KMT2AMEN1MCHR1SLC6A12
SCHEMBL7353904 0.87 MCHR1 (0.55) DRD4KMT2AMEN1MCHR1SLC6A12
SCHEMBL7346827 0.86 SSTR5 (0.47) DRD4KMT2AMEN1MCHR1SLC6A12
SCHEMBL6461236 0.85 HTR7 (0.46) DRD4SLC6A5
SCHEMBL7346972 0.85 SLC6A5 (0.60) DRD4KMT2AMEN1SIGMAR1SLC6A5
SCHEMBL7351795 0.83 HTR7 (0.44) DRD4
SCHEMBL7356138 0.83 DRD4 (0.38) DRD4KMT2AMEN1MCHR1SLC6A12
SCHEMBL7347703 0.81 MCHR1 (0.49) DRD4MCHR1SLC6A12TMEM97SIGMAR1
SCHEMBL7347047 0.81 MCHR1 (0.47) DRD4MCHR1SLC6A12TMEM97SIGMAR1

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