SCHEMBL7347807

SCHEMBL7347807

CC(C)=C1Oc2cccc(OCCNCCN3CCC(NC(=O)c4ccc(F)cc4)CC3)c2C1=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.53
HTR1A P08908 4/20 0.53
MCHR1 Q99705 3/20 0.44
SLC6A12 P48065 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
DRD2 P14416 4/20 0.43
HTR2A P28223 4/20 0.43
DRD3 P35462 3/20 0.43
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
HTR6 P50406 1/20 0.41
SSTR5 P35346 2/20 0.40
ACKR3 P25106 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL7351795 0.93 HTR7 (0.44) HTR7HTR1ACARM1PRMT6CYP2D6
SCHEMBL6466592 0.93 HTR7 (0.55) HTR7HTR1AMCHR1SLC6A12TMEM97
SCHEMBL6458101 0.92 HTR7 (0.54) HTR7HTR1AMCHR1SLC6A12TMEM97
SCHEMBL6462598 0.92 HTR7 (0.54) HTR7HTR1AMCHR1SLC6A12TMEM97
SCHEMBL6457221 0.91 HTR7 (0.55) HTR7HTR1AMCHR1SLC6A12TMEM97
SCHEMBL7351045 0.89 HTR7 (0.47) HTR7HTR1ASSTR5
SCHEMBL6462987 0.86 HTR7 (0.47) HTR7HTR1ACARM1PRMT6CYP2D6
SCHEMBL6457124 0.86 ADRA1D (0.50) HTR7HTR1ADRD2HTR2ADRD3
SCHEMBL6457611 0.86 SLC6A5 (0.51) HTR7HTR1ADRD2HTR2ADRD3
SCHEMBL7348639 0.85 HTR7 (0.44) HTR7HTR1ASSTR5

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