SCHEMBL4379786

SCHEMBL4379786

O=C(CCCCCCCCCCCCCCc1ccc(OCCCc2c[nH]cn2)cc1)CC1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
FFAR1 O14842 2/20 0.39
S1PR1 P21453 5/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR5 Q9H228 1/20 0.39
PLA2G4A P47712 1/20 0.36
PLA2G4B P0C869 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
NPC1 O15118 1/20 0.35
BCHE P06276 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
MAOB P27338 1/20 0.35
RAB9A P51151 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34

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
SCHEMBL8796104 0.96 ITGB3 (0.39) ITGB3ITGA2BFFAR1S1PR1S1PR3
SCHEMBL4387279 0.87 ITGB3 (0.35) ITGB3ITGA2BFFAR1S1PR1S1PR3
SCHEMBL8795425 0.81 FFAR1 (0.39) FFAR1S1PR1S1PR3S1PR5PLA2G4A
SCHEMBL4383862 0.81 ALDH1A1 (0.46) FFAR1S1PR1S1PR3PLA2G4AHRH3
SCHEMBL8934837 0.78 ALDH1A1 (0.45) FFAR1S1PR1S1PR3S1PR5PLA2G4A
SCHEMBL4383472 0.78 ALDH1A1 (0.46) FFAR1S1PR1S1PR3HRH3KDM4E
SCHEMBL4378585 0.76 ALDH1A1 (0.53) FFAR1HRH3NPC1MAOARAB9A
SCHEMBL7987718 0.76 PLA2G4B (0.46) PLA2G4APLA2G4BKDM4E
SCHEMBL4383858 0.75 KDM4E (0.46) PLA2G4BKDM4E
SCHEMBL4390063 0.75 FFAR1 (0.38) FFAR1MEN1KMT2A

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-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP disclosed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO disclosed