SCHEMBL8543404

SCHEMBL8543404

CCCCOc1ccc(CCC2CC(c3cccc(C(F)(F)F)c3)=CCN2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.42
PPARA Q07869 4/20 0.40
PPARG P37231 3/20 0.40
HTR2C P28335 2/20 0.39
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
MAOB P27338 3/20 0.37
CXCR1 P25024 1/20 0.36
PPARD Q03181 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.35
HRH1 P35367 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 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 0.84 MAOB (0.46) HTR2CMAOBHRH1HRH4
SCHEMBL8024707 0.82 HTR2C (0.41) HTR2CMAOBHRH1HRH4
SCHEMBL7100010 0.81 HTR2C (0.43) HTR2CMAOBHRH1HRH4
Hydrochloric Acid SCHEMBL1742023 0.81 HTR2C (0.44) HTR2CMAOBHRH1HRH4
SCHEMBL8542783 0.80 MAOB (0.42) HTR2CMAOBHRH1HRH4
SCHEMBL8540798 0.79 HTR2C (0.44) HTR2CMAOBHRH1HRH4
SCHEMBL6885675 0.79 MAOB (0.41) HTR2CMAOBHRH1HRH4
SCHEMBL7454616 0.79 HTR2C (0.41) HTR2CMAOBHRH1HRH4
SCHEMBL8541412 0.77 HTR2C (0.39) HTR2CMAOBHRH1HRH4
SCHEMBL9530357 0.73 HTR2C (0.47) HTR2CHRH1HRH4

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