SCHEMBL8529074

SCHEMBL8529074

N[C@@H]1CCCN[C@@H]1c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.38
MAOB P27338 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 2/20 0.36
KDM1B Q8NB78 1/20 0.36
CHRNB2 P17787 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
IDO1 P14902 2/20 0.33
TDO2 P48775 2/20 0.33
GRIA4 P48058 1/20 0.33
MAOA P21397 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PARP1 P09874 1/20 0.32

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
SCHEMBL8529070 1.00 KDM1A (0.38) KDM1AMAOBHTR2AHTR2CHTR2B
SCHEMBL8529080 1.00 KDM1A (0.38) KDM1AMAOBHTR2AHTR2CHTR2B
SCHEMBL8530281 0.86 SLC6A2 (0.34) KDM1AKCNH2KDM1BCHRNB2CHRNB4
SCHEMBL8530283 0.86 SLC6A2 (0.34) KDM1AKCNH2KDM1BCHRNB2CHRNB4
SCHEMBL8530279 0.86 SLC6A2 (0.34) KDM1AKCNH2KDM1BCHRNB2CHRNB4
SCHEMBL7485890 0.81 KDM1A (0.46) KDM1AHTR2AHTR2CHTR2B
SCHEMBL7557471 0.81 KDM1A (0.46) KDM1AHTR2AHTR2CHTR2B
SCHEMBL6074341 0.81 KDM1A (0.46) KDM1AHTR2AHTR2CHTR2B
SCHEMBL7029317 0.81 KDM1A (0.46) KDM1AHTR2AHTR2CHTR2B
SCHEMBL8531739 0.79 TAAR1 (0.40) KDM1AHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843966-A Piperidine derivatives GLAXO GROUP LIMITED (GB) 1998-12-01 US disclosed
EP-0720609-B1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LTD (GB) 1998-11-11 EP disclosed
US-5703240-A ANALGESICS; ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-30 US disclosed
EP-0720609-A1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 1996-07-10 EP disclosed
WO-1995008549-A1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 1995-03-30 WO disclosed