SCHEMBL8635759

SCHEMBL8635759

O=C1CCCCc2ccc(-c3ccccc3F)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.53
PTPN1 P18031 1/20 0.53
MAOA P21397 4/20 0.51
MAOB P27338 4/20 0.51
CYP2A6 P11509 1/20 0.51
PARP1 P09874 1/20 0.51
PARP2 Q9UGN5 1/20 0.51
HRH3 Q9Y5N1 1/20 0.45
PGR P06401 2/20 0.41
ACMSD Q8TDX5 1/20 0.41
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
DHODH Q02127 1/20 0.39
PDK2 Q15119 1/20 0.39
HSD17B1 P14061 1/20 0.39
ADORA1 P30542 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PBRM1 Q86U86 1/20 0.38
BACE1 P56817 1/20 0.37

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
SCHEMBL7504001 0.97 MAOA (0.56) PTPRCPTPN1MAOAMAOBCYP2A6
SCHEMBL8631353 0.90 PTPRC (0.56) PTPRCPTPN1MAOAMAOBCYP2A6
SCHEMBL8072264 0.88 HRH3 (0.54) PTPRCPTPN1MAOAMAOBCYP2A6
SCHEMBL8635876 0.84 HSD17B1 (0.56) PTPRCPTPN1MAOAMAOBCYP2A6
SCHEMBL8635352 0.82 PARP1 (0.50) PTPRCPTPN1PARP1PARP2HRH3
SCHEMBL8632736 0.78 PARP1 (0.50) PTPRCPTPN1PARP1PARP2HRH3
SCHEMBL8633556 0.78 HSD17B1 (0.60) PTPRCPTPN1MAOAMAOBCYP2A6
SCHEMBL8636444 0.77 PARP1 (0.48) PTPRCPTPN1MAOAMAOBCYP2A6
SCHEMBL8636464 0.77 PTPRC (0.46) PTPRCPTPN1MAOAMAOBCYP2A6
SCHEMBL29395799 0.77 MAOA (0.58) MAOAMAOBCYP2A6HSD17B1KDM4E

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