SCHEMBL8632720

SCHEMBL8632720

CC1CCc2ccc(-c3ccccc3F)cc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.48
PTPN1 P18031 1/20 0.48
ACHE P22303 4/20 0.43
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
PGR P06401 2/20 0.41
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
OPRD1 P41143 1/20 0.39
GRM2 Q14416 1/20 0.39
ACMSD Q8TDX5 1/20 0.38
ABL1 P00519 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDK2 Q15119 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL8636464 0.92 PTPRC (0.46) PTPRCPTPN1ACHEPARP1PARP2
SCHEMBL677613 0.77 ACHE (0.66) ACHE
SCHEMBL25001243 0.77 ACHE (0.66) ACHE
SCHEMBL12676173 0.77 ACHE (0.66) ACHE
SCHEMBL10000875 0.77 ACHE (0.66) ACHE
SCHEMBL8631353 0.76 PTPRC (0.56) PTPRCPTPN1PARP1PARP2PGR
SCHEMBL7510849 0.75 PTPRC (0.48) PTPRCPTPN1PARP1PARP2PGR
SCHEMBL8634486 0.74 OPRD1 (0.47) PTPRCPTPN1PARP1PARP2PGR
SCHEMBL8635759 0.74 PTPRC (0.53) PTPRCPTPN1PARP1PARP2PGR
SCHEMBL7504001 0.74 MAOA (0.56) PTPRCPTPN1PARP1PARP2PGR

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