SCHEMBL587886

SCHEMBL587886

COC(=O)N1CCC(c2cc(=O)[nH]o2)CC1c1ccc(Cl)cc1.O=c1cc([C@H]2CCN[C@H](c3ccc(Cl)cc3)C2)o[nH]1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.43
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
MCHR1 Q99705 1/20 0.33
MC4R P32245 3/20 0.32
ENPP2 Q13822 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31

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
SCHEMBL3087720 0.92 PLG (0.44) PLGGABRA1GABRG2GABRB3MCHR1
SCHEMBL581701 0.92 PLG (0.44) PLGGABRA1GABRG2GABRB3MCHR1
SCHEMBL581218 0.92 PLG (0.44) PLGGABRA1GABRG2GABRB3MCHR1
SCHEMBL3069316 0.92 PLG (0.44) PLGGABRA1GABRG2GABRB3MCHR1
SCHEMBL588272 0.90 PLG (0.42) PLGGABRA1GABRG2GABRB3
SCHEMBL588011 0.89 PLG (0.44) PLGGABRA1GABRG2GABRB3
SCHEMBL580922 0.86 PLG (0.42) PLGGABRA1GABRG2GABRB3
SCHEMBL3796661 0.84 PLG (0.40) PLGGABRA1GABRG2GABRB3
SCHEMBL3079887 0.83 PLG (0.45) PLGGABRA1GABRG2GABRB3ENPP2
SCHEMBL586892 0.83 PLG (0.45) PLGGABRA1GABRG2GABRB3ENPP2

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