SCHEMBL7334192

SCHEMBL7334192

NC1Cc2ccccc2C1Cc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
LTA4H P09960 3/20 0.37
EPHX2 P34913 2/20 0.37
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HTR2A P28223 4/20 0.33
HTR2C P28335 4/20 0.33
HTR2B P41595 4/20 0.33
HRH3 Q9Y5N1 4/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL8653729 1.00 KDM1A (0.38) KDM1AMAOAMAOBLTA4HEPHX2
SCHEMBL7337058 1.00 KDM1A (0.38) KDM1AMAOAMAOBLTA4HEPHX2
SCHEMBL8654440 0.91 KDM1A (0.46) KDM1AMAOALTA4HHTR6
SCHEMBL7330311 0.91 KDM1A (0.46) KDM1AMAOALTA4HHTR6
SCHEMBL8650740 0.91 KDM1A (0.46) KDM1AMAOALTA4HHTR6
Maleic Acid SCHEMBL8650435 0.90 LTA4H (0.38) KDM1AMAOAMAOBLTA4HEPHX2
Fumaric Acid SCHEMBL8650441 0.90 LTA4H (0.38) KDM1AMAOAMAOBLTA4HEPHX2
Fumaric Acid SCHEMBL8650442 0.90 LTA4H (0.38) KDM1AMAOAMAOBLTA4HEPHX2
Maleic Acid SCHEMBL7337873 0.90 LTA4H (0.38) KDM1AMAOAMAOBLTA4HEPHX2
Maleic Acid SCHEMBL8650437 0.90 LTA4H (0.38) KDM1AMAOAMAOBLTA4HEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711271-B1 AMINOINDANES AND RELATED COMPOUNDS USEFUL AS CALCIUM-CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-10-07 EP claimed
EP-0711271-A1 AMINOINDANES AND RELATED COMPOUNDS USEFUL AS CALCIUM-CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-05-15 EP claimed
WO-1995004027-A1 AMINOINDANES AND RELATED COMPOUNDS USEFUL AS CALCIUM-CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-02-09 WO claimed
EP-0711271-B1 AMINOINDANES AND RELATED COMPOUNDS USEFUL AS CALCIUM-CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-10-07 EP disclosed