SCHEMBL8934765

SCHEMBL8934765

c1ccc(-c2ccc(C(CCCc3c[nH]cn3)OC(CCCc3c[nH]cn3)c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc2cc(C(CCCc3c[nH]cn3)OC(CCCc3c[nH]cn3)c3ccc4ccccc4c3)ccc2c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.32
AOC3 Q16853 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ALOX5 P09917 1/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL4379833 0.93 AOC3 (0.36) AOC3HRH4HRH3HDAC1
SCHEMBL4379648 0.91 AKT2 (0.33)
SCHEMBL4384967 0.74 CYSLTR2 (0.33) ALOX5
SCHEMBL4394318 0.73 SLC6A4 (0.33) HRH3
SCHEMBL9119383 0.70 CYP19A1 (0.43)
SCHEMBL9119464 0.69 CYP19A1 (0.46) HRH3
SCHEMBL4376567 0.68 LMNA (0.34) HRH3
SCHEMBL14414196 0.68 SLC6A4 (0.49)
SCHEMBL4383673 0.67 CA1 (0.36)
SCHEMBL9641597 0.67 HRH1 (0.44)

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 claimed