SCHEMBL4383591

SCHEMBL4383591

CCC(c1c[nH]cn1)c1cc(Oc2ccc(OC)c(C(CC)c3c[nH]cn3)c2)ccc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.37
ADRA1A P35348 2/20 0.37
BCHE P06276 2/20 0.35
TYR P14679 2/20 0.35
ACHE P22303 2/20 0.35
THRB P10828 1/20 0.35
RORC P51449 1/20 0.35
CYP2D6 P10635 2/20 0.35
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSA P10619 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL4386722 0.83 THRA (0.32) THRBKMT2ALMNAGAA
SCHEMBL2104464 0.70 CYP19A1 (0.36)
SCHEMBL2104730 0.68 TSHR (0.43) ADRA2AADRA1AKMT2AGAA
SCHEMBL2103259 0.68 CES2 (0.31)
SCHEMBL11052407 0.67 IDO1 (0.37) ADRA1AMEN1KMT2ALMNAHTT
SCHEMBL2104158 0.67 CHRM2 (0.41) CYP2D6LMNAHIF1A
SCHEMBL5689270 0.66 CTSA (0.44) ACHECTSA
SCHEMBL32672776 0.66 SYK (0.39) LMNA
SCHEMBL32673183 0.66 SYK (0.39) LMNA
SCHEMBL11051393 0.65 SMN1; SMN2 (0.45) ACHEKMT2ALMNA

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 4 patents. 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
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