SCHEMBL4433770

SCHEMBL4433770

O=C(O)C1CCC2(CC1)CNCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
PMP22 Q01453 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 1/20 0.42
LMNA P02545 3/20 0.37
SLC6A1 P30531 2/20 0.37

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
SCHEMBL3734732 0.84 KMT2A (0.39) SMN1; SMN2TDP1HSD11B1
SCHEMBL18204574 0.76 TSHR (0.42) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL9800202 0.76 TSHR (0.42) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL4019338 0.76 TSHR (0.42) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL19304 0.71 TSHR (0.38) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL31506988 0.70 TSHR (0.50) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL12482450 0.69 TSHR (0.45) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL28710315 0.68 TSHR (0.48) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL3003392 0.68 TSHR (0.41) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL3015959 0.68 TSHR (0.41) TSHRGABRPGABRDGABRA1GABRB1

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-2121673-A1 I-OXA-3-AZASPIRO (4.5) DECAN-2-ONE AND 1-OXA-3, 8-DIAZASPIRO (4.5) DECAN-2-ONE DERIVATIVES FOR THE TREATMENT OF EATING DISORDERS Glaxo Group Limited (GB) 2009-11-25 EP disclosed
WO-2008092887-A1 I-OXA-3-AZASPIRO (4.5) DECAN-2-ONE AND 1-OXA-3, 8-DIAZASPIRO (4.5) DECAN-2-ONE DERIVATIVES FOR THE TREATMENT OF EATING DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 WO disclosed