SCHEMBL581429

SCHEMBL581429

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
PLG P00747 12/20 0.48
PDE2A O00408 1/20 0.39
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL3795429 0.88 PLG (0.51) SIGMAR1PLGGABRA1GABRG2GABRB3
SCHEMBL582166 0.86 PLG (0.49) SIGMAR1PLGGABRA1GABRG2GABRB3
SCHEMBL582131 0.86 PLG (0.45) SIGMAR1PLGPDE2AGABRA1GABRG2
SCHEMBL582807 0.86 PLG (0.40) SIGMAR1PLGPDE2AGABRA1GABRG2
SCHEMBL581237 0.86 PLG (0.51) SIGMAR1PLGPDE2AGABRA1GABRG2
SCHEMBL581217 0.85 PLG (0.48) SIGMAR1PLG
SCHEMBL3069768 0.85 PLG (0.39) SIGMAR1PLGPDE2A
SCHEMBL581447 0.85 PLG (0.39) SIGMAR1PLGPDE2A
SCHEMBL581947 0.85 PLG (0.39) SIGMAR1PLGPDE2A
SCHEMBL621875 0.85 PLG (0.39) SIGMAR1PLGPDE2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed