SCHEMBL20054101

SCHEMBL20054101

CC(C)(C)C(N)c1ncc(-c2ccc(C#Cc3ccc(-c4cnc(C(N)C(C)(C)C)[nH]4)cc3)cc2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 10/20 0.40
NLN Q9BYT8 2/20 0.37
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
SCN5A Q14524 2/20 0.35
SCN1A P35498 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN8A Q9UQD0 1/20 0.35

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
SCHEMBL15113143 1.00 SCN10A (0.40) SCN10ANLNS1PR4S1PR1S1PR3
SCHEMBL16407731 0.89 SCN10A (0.44) SCN10ANLNS1PR4S1PR1S1PR3
SCHEMBL19388443 0.86 SCN10A (0.40) SCN10A
SCHEMBL15116602 0.86 SCN10A (0.40) SCN10A
SCHEMBL15105893 0.82 SCN10A (0.39) SCN10ANLNSCN5A
SCHEMBL15105760 0.82 HPGDS (0.42) SCN10ANLN
SCHEMBL15116606 0.82 SNCA (0.32)
SCHEMBL19388632 0.82 SNCA (0.32)
SCHEMBL20054450 0.82 NLN (0.39) SCN10ANLN
SCHEMBL15116770 0.82 NLN (0.39) SCN10ANLN

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-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed