SCHEMBL20054582

SCHEMBL20054582

NCc1ncc(-c2ccc(-c3cc4ccc(-c5cnc(CN)[nH]5)cc4o3)cc2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.40
PDE10A Q9Y233 4/20 0.38
APP P05067 3/20 0.36
SCN10A Q9Y5Y9 6/20 0.34
SCN5A Q14524 3/20 0.34
TYR P14679 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
NR1I2 O75469 1/20 0.33
MAOB P27338 1/20 0.33
SCN1A P35498 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL20054477 0.79 PDE10A (0.43) PDE10A
SCHEMBL12648128 0.79 NLN (0.41) PDE10ASCN10ASCN5ASCN1AKCNH2
SCHEMBL20054552 0.78 NLN (0.43) PDE10ASCN10ASCN5A
SCHEMBL20054471 0.77 NLN (0.42) PDE10ASCN10ASCN5A
SCHEMBL15114364 0.77 SHBG (0.36) SHBGAPPSCN10ANR1I2HDAC6
SCHEMBL20054578 0.77 SHBG (0.36) SHBGAPPSCN10ANR1I2HDAC6
SCHEMBL20054412 0.71 GSK3B (0.49) NR1I2KCNH2
SCHEMBL20055405 0.70 TRPV1 (0.46) PDE10ASCN10ASCN5A
SCHEMBL2562957 0.70 PDE10A (0.64) PDE10ASCN2A
SCHEMBL20054430 0.68 AAK1 (0.41)

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