SCHEMBL19488295

SCHEMBL19488295

CCCNCc1nc2ccc(-c3ccc(-c4ccc(-c5cnc(C6NCCCC6C)[nH]5)cc4)cc3)cc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.37
SCN10A Q9Y5Y9 1/20 0.31
SCN3A Q9NY46 2/20 0.30
SCN9A Q15858 1/20 0.30
SSTR3 P32745 1/20 0.30
USP30 Q70CQ3 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
SCHEMBL19488554 0.89 SCN10A (0.40) AAK1SCN10ASSTR3
SCHEMBL19488473 0.83 SCN10A (0.39) AAK1SCN10ASSTR3USP30
SCHEMBL19488306 0.78 SCN10A (0.39) AAK1SCN10A
SCHEMBL19488293 0.78 AAK1 (0.37) AAK1SCN10AUSP30
SCHEMBL19488290 0.76 SCN10A (0.37) AAK1SCN10A
SCHEMBL19488471 0.75 SCN10A (0.40) AAK1SCN10A
SCHEMBL11982065 0.74 SSTR3 (0.36) SCN10ASCN3ASCN9ASSTR3
SCHEMBL20221011 0.74 SSTR3 (0.36) SCN10ASCN3ASCN9ASSTR3
SCHEMBL19488498 0.72 SCN10A (0.42) AAK1SCN10AUSP30
SCHEMBL19488583 0.72 SCN10A (0.39) AAK1SCN10AUSP30

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