SCHEMBL20054551

SCHEMBL20054551

CC(C)C(N)c1ncc(-c2ccc3cc(-c4ccc5cc(-c6cnc(C(N)C(C)C)[nH]6)ccc5c4)ccc3c2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLN Q9BYT8 4/20 0.48
HDAC1 Q13547 3/20 0.37
SCN10A Q9Y5Y9 4/20 0.36
SCN5A Q14524 2/20 0.35
HDAC3 O15379 1/20 0.35
PTGER3 P43115 1/20 0.34

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
SCHEMBL15116822 1.00 NLN (0.48) NLNHDAC1SCN10ASCN5AHDAC3
SCHEMBL19388724 1.00 NLN (0.48) NLNHDAC1SCN10ASCN5AHDAC3
SCHEMBL1294421 0.86 NLN (0.41) NLNSCN10ASCN5A
SCHEMBL13294155 0.85 SCN10A (0.42) NLNSCN10ASCN5A
SCHEMBL10058115 0.85 SCN10A (0.42) NLNSCN10ASCN5A
SCHEMBL12107481 0.85 NLN (0.48) NLNHDAC1SCN10ASCN5A
SCHEMBL15443396 0.81 NLN (0.47) NLNHDAC1HDAC3
Hydrochloric Acid SCHEMBL25374918 0.81 NPY5R (0.48) NLNSCN10ASCN5A
Hydrochloric Acid SCHEMBL25374920 0.81 NPY5R (0.48) NLNSCN10ASCN5A
SCHEMBL19414850 0.81 NLN (0.46) NLNSCN10ASCN5A

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