SCHEMBL586957

SCHEMBL586957

COC(=O)N1CCC(c2cc(=O)[nH]o2)CC1Cc1ccc(Cl)cc1.O=c1cc([C@@H]2CCN[C@@H](Cc3ccc(Cl)cc3)C2)o[nH]1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.56
CHIT1 Q13231 2/20 0.36
CHIA Q9BZP6 2/20 0.36
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
ENPP2 Q13822 1/20 0.34
TACR1 P25103 1/20 0.33

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
SCHEMBL586956 1.00 PLG (0.56) PLGCHIT1CHIAGABRA1GABRG2
SCHEMBL586955 1.00 PLG (0.56) PLGCHIT1CHIAGABRA1GABRG2
SCHEMBL581453 0.92 PLG (0.42) PLGCHIT1CHIAENPP2TACR1
SCHEMBL3074964 0.92 PLG (0.42) PLGCHIT1CHIAENPP2TACR1
SCHEMBL587117 0.92 PLG (0.42) PLGCHIT1CHIAENPP2TACR1
SCHEMBL3073252 0.92 PLG (0.42) PLGCHIT1CHIAENPP2TACR1
SCHEMBL587340 0.88 PLG (0.54) PLG
SCHEMBL587197 0.86 PLG (0.50) PLGGABRA1GABRG2GABRB3
SCHEMBL581961 0.85 PLG (0.53) PLGGABRA1GABRG2GABRB3TACR1
SCHEMBL581507 0.83 PLG (0.54) PLG

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