SCHEMBL8633644

SCHEMBL8633644

CCC1CCC(=O)c2ccc(-c3ccccc3F)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.46
PTPN1 P18031 1/20 0.46
HTR2C P28335 1/20 0.43
HRH3 Q9Y5N1 1/20 0.40
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
CHRNA7 P36544 1/20 0.38
GRM2 Q14416 1/20 0.38
PGR P06401 2/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
CYP26A1 O43174 2/20 0.35
ABL1 P00519 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDK2 Q15119 1/20 0.35
SCD O00767 1/20 0.34
F2R P25116 1/20 0.34

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
SCHEMBL7510849 0.84 PTPRC (0.48) PTPRCPTPN1HTR2CHRH3TNKS
SCHEMBL8634517 0.79 SLC6A9 (0.41) PTPRCPTPN1HTR2CHRH3PARP1
SCHEMBL8634558 0.79 PTPRC (0.46) PTPRCPTPN1HTR2CHRH3TNKS
SCHEMBL11078614 0.78 BCHE (0.38) HTR2C
Methylamine SCHEMBL11650011 0.75 HTR2A (0.38) HTR2C
Methylamine SCHEMBL11654740 0.74 HTR2C (0.38) HTR2C
SCHEMBL29581151 0.74 METAP1 (0.37)
SCHEMBL8635273 0.74 PTPRC (0.46) PTPRCPTPN1HRH3TNKSTNKS2
SCHEMBL8633556 0.71 HSD17B1 (0.60) PTPRCPTPN1HRH3TNKSTNKS2
SCHEMBL11804346 0.71 ALDH1A1 (0.39) ALDH1A1MAPTL3MBTL1

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
EP-0601191-B1 NOVEL TETRACYCLIC COMPOUND KYOWA HAKKO KOGYO KK (JP) 1998-07-22 EP disclosed
US-5371225-A Immunosuppressants KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-12-06 US disclosed
EP-0601191-A1 NOVEL TETRACYCLIC COMPOUND KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1994-06-15 EP disclosed