SCHEMBL9688934

SCHEMBL9688934

[CH2]C(C)(C)c1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.54
PLA2G4B P0C869 1/20 0.51
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
S1PR1 P21453 3/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PPARG P37231 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
CYP2C19 P33261 1/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KCNA3 P22001 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL13110227 0.82 GAA (0.58) FFAR1DRD2DRD4DRD3NPC1
SCHEMBL6429357 0.80 FFAR1 (0.52) FFAR1PLA2G4BS1PR1S1PR3S1PR5
SCHEMBL4981505 0.79 KCNA3 (0.73) FFAR1PLA2G4BDRD2DRD4DRD3
SCHEMBL5543364 0.78 FFAR1 (0.61) FFAR1PLA2G4BDRD2DRD4DRD3
SCHEMBL20325128 0.78 KCNH2 (0.56) FFAR1POLBGAASMN1; SMN2
SCHEMBL257764 0.78 DRD2 (0.64) FFAR1PLA2G4BDRD2DRD4DRD3
SCHEMBL3652537 0.78 NR5A1 (0.55) PLA2G4BNPC1RAB9A
SCHEMBL4982709 0.77 KCNA3 (0.70) FFAR1PLA2G4BDRD2DRD4DRD3
SCHEMBL13979617 0.77 DRD2 (0.62) FFAR1PLA2G4BDRD2DRD4DRD3
SCHEMBL13072255 0.77 FFAR1 (0.64) FFAR1S1PR1NPC1RAB9AS1PR3

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-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed