SCHEMBL20054443

SCHEMBL20054443

CC(C)(C)C(N)c1ncc(C#Cc2ccc3cc(C#Cc4cnc(C(N)C(C)(C)C)[nH]4)ccc3c2)[nH]1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SNCA P37840 4/20 0.31
MAPT P10636 3/20 0.30
ASIC3 Q9UHC3 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30

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
SCHEMBL19388740 1.00 SNCA (0.31) SNCAMAPTASIC3GABRA1GABRG2
SCHEMBL15116620 1.00 SNCA (0.31) SNCAMAPTASIC3GABRA1GABRG2
SCHEMBL20054450 0.91 NLN (0.39)
SCHEMBL19388545 0.91 NLN (0.39)
SCHEMBL15116770 0.91 NLN (0.39)
SCHEMBL15116606 0.90 SNCA (0.32) SNCAMAPT
SCHEMBL19388632 0.90 SNCA (0.32) SNCAMAPT
SCHEMBL15116860 0.79
SCHEMBL20054531 0.74 GABRA1 (0.39) MAPTGABRA1GABRG2GABRB3GABRA3
SCHEMBL15113143 0.73 SCN10A (0.40)

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-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed