SCHEMBL581745

SCHEMBL581745

CN1CC[C@H](c2cc(=O)[nH]o2)C[C@H]1c1ccc(F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.50
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
OPRL1 P41146 1/20 0.37
MAPK14 Q16539 1/20 0.36
HTR1F P30939 2/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2B P41595 1/20 0.35

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 0.90 PLG (0.51) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL582270 0.89 PLG (0.52) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL582166 0.86 PLG (0.49) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL3075343 0.84 PLG (0.42) PLGGABRA1GABRG2GABRB3OPRL1
SCHEMBL27869837 0.84 PLG (0.42) PLGGABRA1GABRG2GABRB3OPRL1
SCHEMBL581069 0.84 PLG (0.54) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL581115 0.83 PLG (0.41) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL3069351 0.83 PLG (0.41) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL597997 0.83 PLG (0.41) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL587162 0.83 PLG (0.41) 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 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