SCHEMBL582270

SCHEMBL582270

CN1CCC(c2cc(=O)[nH]o2)CC1c1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.52
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
SIGMAR1 Q99720 2/20 0.38
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1F P30939 1/20 0.34
MAPT P10636 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 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
SCHEMBL582166 0.90 PLG (0.49) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL581745 0.89 PLG (0.50) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL581423 0.84 PLG (0.43) PLGGABRA1GABRG2GABRB3CNR1
SCHEMBL581907 0.82 PLG (0.56) PLGGABRA1GABRG2GABRB3
SCHEMBL581994 0.82 PLG (0.56) PLGGABRA1GABRG2GABRB3
SCHEMBL581550 0.82 CYP2C9 (0.46) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL3069676 0.82 CYP2C9 (0.46) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL3063062 0.82 CYP2C9 (0.46) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL3063454 0.82 CYP2C9 (0.46) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL27965735 0.82 PLG (0.42) 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