SCHEMBL7420800

SCHEMBL7420800

CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4CC(OC(=O)C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.70
GRIN2B Q13224 3/20 0.70
GRIN2D O15399 1/20 0.67
GRIN2A Q12879 1/20 0.67
GRIN2C Q14957 1/20 0.67
GABRP O00591 4/20 0.63
GABRD O14764 4/20 0.63
GABRA1 P14867 4/20 0.63
GABRB1 P18505 4/20 0.63
GABRG2 P18507 4/20 0.63
GABRB3 P28472 4/20 0.63
GABRA5 P31644 4/20 0.63
GABRA3 P34903 4/20 0.63
GABRA2 P47869 4/20 0.63
GABRB2 P47870 4/20 0.63
GABRA4 P48169 4/20 0.63
GABRE P78334 4/20 0.63
GABRA6 Q16445 4/20 0.63
GABRG1 Q8N1C3 4/20 0.63
GABRG3 Q99928 4/20 0.63

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
SCHEMBL7420797 1.00 GRIN1 (0.70) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL7354723 1.00 GRIN1 (0.70) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL18346701 0.91 GRIN1 (0.68) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL18346685 0.91 GRIN1 (0.68) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL22453518 0.90 GRIN1 (0.69) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL22989687 0.89 GRIN1 (0.71) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL12028989 0.89 GRIN1 (0.71) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL22989665 0.89 GRIN1 (0.71) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL12028991 0.89 GRIN1 (0.71) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL12028987 0.89 GRIN1 (0.71) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591733-A TREATMENT OF ANXIETY, STRESS, INSOMNIA, SEIZURES, STEROIDS, ACTIVE AT GAMMA-AMINOBUTYRIC ACID RECEPTORS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 1997-01-07 US claimed
WO-1993003732-A1 GABA RECEPTOR MODULATORS COCENSYS, INC. (US) 1993-03-04 WO claimed
EP-0554436-B1 GABA RECEPTOR MODULATORS EURO CELTIQUE SA (LU) 2000-07-05 EP disclosed
US-5591733-A TREATMENT OF ANXIETY, STRESS, INSOMNIA, SEIZURES, STEROIDS, ACTIVE AT GAMMA-AMINOBUTYRIC ACID RECEPTORS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 1997-01-07 US disclosed
US-5232917-A Tranquillizers; antianxiolytic agents; sedatives; antidepressants; anticonvulsants; neurotransmitters UNIVERSITY OF SOUTHERN CALIFORNIA (US) 1993-08-03 US disclosed
WO-1993003732-A1 GABA RECEPTOR MODULATORS COCENSYS, INC. (US) 1993-03-04 WO disclosed