SCHEMBL19488495

SCHEMBL19488495

CCCN(Cc1nc2cc(C#Cc3ccc(-c4nc[nH]c4CN(CCC)C(=O)OC(C)(C)C)cc3)ccc2[nH]1)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA3 P34903 3/20 0.33
GABRA2 P47869 3/20 0.33
CACNA1G O43497 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNA1C Q13936 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRA6 Q16445 1/20 0.31

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
SCHEMBL10202452 0.80 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL19488288 0.79
SCHEMBL10200220 0.75 CACNA1G (0.39) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10201483 0.75 CACNA1G (0.39) CACNA1GCACNA1BCACNA1C
SCHEMBL19339742 0.73 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL19488591 0.72 AAK1 (0.33) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL18782960 0.71 PRCP (0.36)
SCHEMBL22361495 0.71 AAK1 (0.34)
SCHEMBL18526729 0.71 SSTR4 (0.37) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL19488611 0.71 TGFBR1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed