SCHEMBL8072264

SCHEMBL8072264

O=C1CCCCc2cc(-c3ccccc3F)ccc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.54
PTPRC P08575 1/20 0.53
PTPN1 P18031 1/20 0.53
HSD17B1 P14061 4/20 0.53
MAOA P21397 5/20 0.51
MAOB P27338 5/20 0.51
CYP2A6 P11509 1/20 0.51
PARP1 P09874 1/20 0.51
PARP2 Q9UGN5 1/20 0.51
GRM5 P41594 1/20 0.47
PRKCI P41743 1/20 0.46
MAPK14 Q16539 3/20 0.44
CYP1A2 P05177 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PGR P06401 1/20 0.42
ADORA1 P30542 1/20 0.41
ACMSD Q8TDX5 1/20 0.41

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
SCHEMBL8635876 0.97 HSD17B1 (0.56) HRH3PTPRCPTPN1HSD17B1MAOA
SCHEMBL8633556 0.90 HSD17B1 (0.60) HRH3PTPRCPTPN1HSD17B1MAOA
SCHEMBL8635759 0.88 PTPRC (0.53) HRH3PTPRCPTPN1HSD17B1MAOA
SCHEMBL7504001 0.84 MAOA (0.56) HRH3PTPRCPTPN1HSD17B1MAOA
SCHEMBL8635352 0.82 PARP1 (0.50) HRH3PTPRCPTPN1PARP1PARP2
SCHEMBL7509673 0.81 HSD17B1 (0.56) HSD17B1MAOAMAOBCYP2A6GRM5
SCHEMBL7507475 0.81 HSD17B1 (0.56) HRH3HSD17B1MAOAMAOBCYP2A6
SCHEMBL21222886 0.80 HSD17B1 (0.68) HRH3HSD17B1MAOAMAOBCYP2A6
SCHEMBL8632736 0.78 PARP1 (0.50) HRH3PTPRCPTPN1PARP1PARP2
SCHEMBL8631353 0.78 PTPRC (0.56) HRH3PTPRCPTPN1HSD17B1MAOA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000007607-A PRODUCTION OF 7-(2-FLUOROPHENYL)-1-BENZOSUBERONE KYOWA HAKKO KOGYO CO LTD 2000-01-11 JP disclosed
JP-2000007607-A PRODUCTION OF 7-(2-FLUOROPHENYL)-1-BENZOSUBERONE KYOWA HAKKO KOGYO CO LTD 2000-01-11 JP disclosed
JP-2000007606-A PRODUCTION OF 7-(2-FLUOROPHENYL)-1-BENZOSUBERONE KYOWA HAKKO KOGYO CO LTD 2000-01-11 JP disclosed
JP-2000007606-A PRODUCTION OF 7-(2-FLUOROPHENYL)-1-BENZOSUBERONE KYOWA HAKKO KOGYO CO LTD 2000-01-11 JP disclosed
JP-2000007619-A BENZOCYCLOPHEPTENE DERIVATIVE KYOWA HAKKO KOGYO CO LTD 2000-01-11 JP disclosed
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