SCHEMBL28043570

SCHEMBL28043570

CCCc1ccc[nH]1.FC(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
GPR84 Q9NQS5 2/20 0.34
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL588497 0.91
Butane SCHEMBL28165284 0.89 MAOA (0.40) MAOAGPR84DRD2DRD4DRD3
Ammonia Solution, Strong SCHEMBL28098911 0.89
SCHEMBL27742672 0.89
SCHEMBL10538535 0.85 MAOA (0.38) MAOAGPR84DRD2DRD4DRD3
Heptane SCHEMBL28035775 0.82 GPR84 (0.49) GPR84
Pyridine SCHEMBL28289827 0.79 MAOA (0.34) MAOAGPR84DRD2DRD4DRD3
SCHEMBL1338045 0.78
Pyridine SCHEMBL28865960 0.78 HRH3 (0.40) GPR84POLBMAPTL3MBTL1
SCHEMBL28595733 0.77 CYP1A2 (0.38) MAOAGPR84KDM4E

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
CN-105161759-A Composite electrolyte of lithium-air battery and preparation method of composite electrolyte UNIV BEIJING SCIENCE & TECH 2015-12-16 CN disclosed