SCHEMBL7359271

SCHEMBL7359271

CC(C)(C)OC(=O)c1[nH]c2ccccc2c1CCC=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.51
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR1F P30939 1/20 0.49
HTR7 P34969 1/20 0.49
DRD3 P35462 1/20 0.49
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47

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
SCHEMBL9218524 0.83 GABRA1 (0.52) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL9223733 0.82 GABRA1 (0.51) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL7355774 0.81 EGFR (0.60) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL9215592 0.78 GABRA1 (0.49) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL29643083 0.78 GABRA1 (0.49) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL28156121 0.77 HTR6 (0.47) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL18795711 0.76 SLC7A5 (0.49) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL30597932 0.76 SLC7A5 (0.49) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL14602590 0.76 ALDH1A1 (0.63) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL28156846 0.74 KDM4E (0.60) HTR6HTR1ADRD2DRD4HTR1D

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-1091945-A1 CYCLIC CARBAMATES AND ISOXAZOLIDINES AS IIB/IIIA ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2001-04-18 EP disclosed
WO-2000000481-A1 CYCLIC CARBAMATES AND ISOXAZOLIDINES AS IIB/IIIA ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-01-06 WO disclosed