SCHEMBL8300706

SCHEMBL8300706

CCOC(c1cc[c]cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
SCN1A P35498 3/20 0.46
SCN2A Q99250 3/20 0.46
SCN3A Q9NY46 3/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 3/20 0.46
LMNA P02545 2/20 0.46
CHRM2 P08172 2/20 0.46
ADRA2A P08913 2/20 0.46
CHRM1 P11229 2/20 0.46
OPRM1 P35372 2/20 0.46
DRD3 P35462 2/20 0.46
KCNH2 Q12809 2/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
ADRA2B P18089 1/20 0.46

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
SCHEMBL3992907 0.88 SCN1A (0.55) HTTSCN1ASCN2ASCN3ASLC6A2
Dimethylamine SCHEMBL29198789 0.82 HTT (0.55) HTTSCN1ASCN2ASCN3ASLC6A2
Ethylene Glycol SCHEMBL27734001 0.80 HTT (0.49) HTTSCN1ASCN2ASCN3ASLC6A2
SCHEMBL7586879 0.78 IDO1 (0.39) HTTSCN1ASCN2ASCN3ASLC6A2
SCHEMBL27936077 0.77 IDO1 (0.56) HTTSCN1ASCN2ASCN3ASLC6A2
SCHEMBL6743965 0.77 HTT (0.46) HTTSCN1ASCN2ASCN3ASLC6A2
SCHEMBL1413359 0.75 PTGS2 (0.44) LMNAL3MBTL1
SCHEMBL668550 0.75 HTR2A (0.46) LMNACYP1A2TSHRHTR2AHRH1
SCHEMBL8678809 0.75 SLC6A4 (0.35) HTTSLC6A4LMNATSHRMEN1
SCHEMBL1628206 0.74 LMNA (0.35) LMNA

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
EP-0579766-B1 N-ARYLHETEROARYLALKYL IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS SEARLE & CO (US) 1999-06-02 EP claimed