SCHEMBL7315413

SCHEMBL7315413

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.71
GABRB2 P47870 9/20 0.71
GABRP O00591 8/20 0.71
GABRD O14764 8/20 0.71
GABRB1 P18505 8/20 0.71
GABRG2 P18507 8/20 0.71
GABRB3 P28472 8/20 0.71
GABRA5 P31644 8/20 0.71
GABRA3 P34903 8/20 0.71
GABRA2 P47869 8/20 0.71
GABRA4 P48169 8/20 0.71
GABRE P78334 8/20 0.71
GABRA6 Q16445 8/20 0.71
GABRG1 Q8N1C3 8/20 0.71
GABRG3 Q99928 8/20 0.71
GABRQ Q9UN88 8/20 0.71
G6PD P11413 2/20 0.51
CYP3A4 P08684 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51

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
SCHEMBL22033067 1.00 GABRA1 (0.71) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL3115466 1.00 GABRA1 (0.71) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL19303484 0.89 GABRA1 (0.61) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL22136186 0.89 GABRP (0.56) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL29904078 0.87 GABRA1 (0.82) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL22136187 0.87 GABRP (0.55) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL29904117 0.87 GABRA1 (0.82) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL29904068 0.85 GABRA1 (0.88) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL26350407 0.85 GABRA1 (0.88) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL17171297 0.84 GABRA1 (0.78) GABRA1GABRB2GABRPGABRDGABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277838-B1 ADMINISTERING DOSAGE OF ANXIOLYTIC AGENT TO ANIMAL COCENSYS, INC. 2001-08-21 US disclosed
US-6143736-A USED TO ALLEVIATE STRESS, ANXIETY, SEIZURES, MOOD DISORDERS, PREMENSTRUAL SYNDROME(PMS) AND POSTNATAL DEPRESSION (PND AND TO INDUCE ANESTHESIA COCENSYS, INC. (US) 2000-11-07 US disclosed
WO-1998005337-A1 USE OF GABA AND NMDA RECEPTOR LIGANDS FOR THE TREATMENT OF MIGRAINE HEADACHE COCENSYS, INC. (US) 1998-02-12 WO disclosed