SCHEMBL8540798

SCHEMBL8540798

FC(F)(F)c1cccc(C2=CCNC(CCc3cccc(-c4ccccc4)c3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.44
MAOB P27338 2/20 0.40
S1PR5 Q9H228 1/20 0.38
CXCR2 P25025 1/20 0.38
HRH1 P35367 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
KDM1A O60341 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
SCN2A Q99250 1/20 0.36
SLC13A5 Q86YT5 1/20 0.36
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
PTPN1 P18031 1/20 0.35
PTPN5 P54829 1/20 0.35
AGXT P21549 1/20 0.35
NAAA Q02083 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL7439313 0.92 MAOB (0.46) HTR2CMAOBS1PR5CXCR2HRH1
SCHEMBL7100010 0.87 HTR2C (0.43) HTR2CMAOBS1PR5CXCR2HRH1
Hydrochloric Acid SCHEMBL1742023 0.86 HTR2C (0.44) HTR2CMAOBS1PR5CXCR2HRH1
SCHEMBL7453648 0.86 HTR2C (0.40) HTR2CMAOBS1PR5CXCR2HRH1
SCHEMBL7435086 0.85 HTR2C (0.49) HTR2CMAOBS1PR5CXCR2HRH1
SCHEMBL8542783 0.83 MAOB (0.42) HTR2CMAOBS1PR5HRH1HRH4
SCHEMBL8024707 0.83 HTR2C (0.41) HTR2CMAOBS1PR5HRH1HRH4
SCHEMBL6885675 0.83 MAOB (0.41) HTR2CMAOBS1PR5HRH1HRH4
SCHEMBL7454616 0.83 HTR2C (0.41) HTR2CMAOBS1PR5HRH1HRH4
SCHEMBL8541203 0.82 HTR2C (0.42) HTR2CMAOBHRH1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837848-A1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI (FR) 1998-04-29 EP disclosed
WO-1997001536-A1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI (FR) 1997-01-16 WO disclosed