SCHEMBL582745

SCHEMBL582745

CN1CC[C@H](c2cc(=O)[nH]o2)C[C@H]1Cc1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.46
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
TACR1 P25103 1/20 0.34
GPR52 Q9Y2T5 3/20 0.33
CMA1 P23946 1/20 0.33
CXCR3 P49682 1/20 0.33
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32

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
SCHEMBL587466 0.91 PLG (0.52) PLGGABRA1GABRG2GABRB3
SCHEMBL582150 0.91 PLG (0.52) PLGGABRA1GABRG2GABRB3
SCHEMBL583159 0.91 PLG (0.52) PLGGABRA1GABRG2GABRB3
SCHEMBL582315 0.87 PLG (0.48) PLGGABRA1GABRG2GABRB3TACR1
SCHEMBL581966 0.86 PLG (0.48) PLG
SCHEMBL582380 0.86 PLG (0.41) PLGGABRA1GABRG2GABRB3TACR1
SCHEMBL3081522 0.85 PLG (0.39) PLGTACR1
SCHEMBL581340 0.85 PLG (0.39) PLGTACR1
SCHEMBL586689 0.85 PLG (0.39) PLGTACR1
SCHEMBL3067839 0.85 PLG (0.39) PLGTACR1

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