SCHEMBL8934857

SCHEMBL8934857

S=C(c1ccccc1)c1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
PPARA Q07869 1/20 0.39
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HRH4 Q9H3N8 2/20 0.38
KCNH2 Q12809 1/20 0.38
PPARG P37231 1/20 0.37
PSMB1 P20618 1/20 0.36
PSMB5 P28074 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7987181 0.87 GAA (0.55) HRH3PPARAGAAHRH4PPARG
SCHEMBL4384300 0.82 LTA4H (0.51) HRH3PPARAKCNH2PPARG
SCHEMBL7987202 0.80 HRH2 (0.48) PPARAGAAPPARG
SCHEMBL7974440 0.80 GAA (0.56) HRH3PPARAGAAPKMHRH4
SCHEMBL4386635 0.80 RAB9A (0.48) GAAKDM4E
SCHEMBL4376187 0.78 L3MBTL1 (0.59) HRH3GAAKDM4E
SCHEMBL7991343 0.78 HRH3 (0.46) HRH3KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL7991232 0.77 HRH4 (0.66) HRH3PPARAHRH4PPARG
SCHEMBL4378564 0.77 HRH4 (0.66) HRH3PPARAHRH4PPARG
SCHEMBL647793 0.76 FURIN (0.43) HRH3GAAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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