SCHEMBL3795429

SCHEMBL3795429

CN1CC[C@H](c2cc(=O)[nH]o2)C[C@@H]1c1ccc(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.51
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
GRM2 Q14416 3/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL581745 0.90 PLG (0.50) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL582166 0.89 PLG (0.49) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL581429 0.88 SIGMAR1 (0.51) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL581069 0.85 PLG (0.54) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL582131 0.85 PLG (0.45) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL3075689 0.84 PLG (0.43) PLGGABRA1GABRG2GABRB3P2RX7
SCHEMBL581928 0.83 PLG (0.42) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL3079068 0.83 PLG (0.42) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL587149 0.83 PLG (0.42) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL28812638 0.82 PLG (0.44) PLGGABRA1GABRG2GABRB3SIGMAR1

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-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed