SCHEMBL7751869

SCHEMBL7751869

[CH2]COc1ccc(Oc2cccc(Cl)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
WDR5 P61964 1/20 0.44
AR P10275 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAOB P27338 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
TTBK1 Q5TCY1 1/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HTR2A P28223 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL535552 0.87 WDR5 (0.55) DRD2DRD4WDR5MAOBSMN1; SMN2
SCHEMBL10715309 0.84 MAPT (0.54) SCN5ASCN9AWDR5ARCYP1A2
SCHEMBL7747269 0.83 CARM1 (0.39) CYP2C9MAOBSMN1; SMN2LMNAALDH1A1
SCHEMBL3716891 0.81 MAOA (0.52) SCN5ASCN9AARCYP1A2CYP2C9
SCHEMBL29349910 0.81 MAOA (0.52) SCN5ASCN9AARCYP1A2CYP2C9
SCHEMBL29924283 0.80 RHEB (0.52) SCN5ASCN9AWDR5ARCYP1A2
SCHEMBL6206121 0.80 RHEB (0.52) SCN5ASCN9AWDR5ARCYP1A2
SCHEMBL5545085 0.79 AR (0.46) SCN5ASCN9AARCYP1A2CYP2C9
SCHEMBL8966908 0.79 LTA4H (0.66) SCN5ASCN9ADRD2DRD4WDR5
SCHEMBL10876902 0.79 ALDH1A1 (0.53) DRD2DRD4WDR5SMN1; SMN2LMNA

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-2001036371-A1 CARBONIC ACID DERIVATIVES AND THEIR USE AS ECTOPARASITICIDAL COMPOSITION NOVARTIS AG (CH) 2001-05-25 WO disclosed