SCHEMBL582166

SCHEMBL582166

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.49
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
OPRL1 P41146 1/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
OPRM1 P35372 2/20 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
SCHEMBL582270 0.90 PLG (0.52) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL3795429 0.89 PLG (0.51) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL581429 0.86 SIGMAR1 (0.51) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL581745 0.86 PLG (0.50) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL27853135 0.85 PLG (0.41) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL27869786 0.85 PLG (0.41) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL581722 0.85 PLG (0.41) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL582182 0.83 PLG (0.41) PLGSIGMAR1OPRL1
SCHEMBL581495 0.83 PLG (0.41) PLGSIGMAR1OPRL1
SCHEMBL581433 0.83 PLG (0.41) PLGSIGMAR1OPRL1

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