SCHEMBL7346972

SCHEMBL7346972

CC(C)=C1Oc2cccc(OCc3ccc(CN4CCC(NC(=O)c5ccc(C(F)(F)F)cc5)CC4)cc3)c2C1=O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 11/20 0.60
DRD4 P21917 4/20 0.52
HTR2A P28223 1/20 0.49
DRD2 P14416 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SIGMAR1 Q99720 2/20 0.46

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 0.93 MCHR1 (0.55) SLC6A5DRD4HTR2ADRD2MEN1
SCHEMBL7347684 0.87 MCHR1 (0.53) SLC6A5DRD4HTR2ADRD2MEN1
SCHEMBL6457611 0.87 SLC6A5 (0.51) SLC6A5DRD4HTR2ADRD2
SCHEMBL7350951 0.85 DRD4 (0.47) SLC6A5DRD4MEN1KMT2ASIGMAR1
SCHEMBL7345537 0.85 SLC6A5 (0.44) SLC6A5DRD4HTR2ADRD2
SCHEMBL7347675 0.84 UTS2R (0.49) DRD4MEN1KMT2A
SCHEMBL7347703 0.83 MCHR1 (0.49) DRD4HTR2ADRD2SIGMAR1
SCHEMBL7347047 0.82 MCHR1 (0.47) DRD4HTR2ASIGMAR1
SCHEMBL7346827 0.80 SSTR5 (0.47) DRD4MEN1KMT2A
SCHEMBL6466592 0.80 HTR7 (0.55) SLC6A5HTR2ADRD2SIGMAR1

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