SCHEMBL19789920

SCHEMBL19789920

CCCNCc1ncc(-c2ccc(-c3ccc(-c4cnc(CNCCC)[nH]4)cc3)cc2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.42
PDE10A Q9Y233 2/20 0.42
SCN10A Q9Y5Y9 3/20 0.40
SCN5A Q14524 2/20 0.40
KLK1 P06870 1/20 0.39
KLK5 Q9Y337 1/20 0.39

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
SCHEMBL19339716 0.91 TRPV1 (0.40) SSTR3PDE10ASCN10ASCN5A
SCHEMBL13758819 0.88 SCN10A (0.41) SCN10ASCN5AKLK1KLK5
SCHEMBL18526452 0.87 SCN10A (0.40) SSTR3PDE10ASCN10ASCN5AKLK1
SCHEMBL18526771 0.86 PDE10A (0.46) SSTR3PDE10A
SCHEMBL16133430 0.84 HPGDS (0.43) SSTR3PDE10ASCN10ASCN5AKLK1
SCHEMBL18526728 0.84 SCN10A (0.38) SSTR3PDE10ASCN10ASCN5AKLK1
SCHEMBL19339625 0.83 LIMK1 (0.34) SSTR3PDE10ASCN10ASCN5AKLK1
SCHEMBL19339623 0.82 LPL (0.41) SSTR3PDE10A
SCHEMBL20221011 0.81 SSTR3 (0.36) SSTR3SCN10A
SCHEMBL11982065 0.81 SSTR3 (0.36) SSTR3SCN10A

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-3321263-A2 COMPOUNDS FOR PREPARING HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Holdings Ireland (CH) 2018-05-16 EP disclosed
EP-3042901-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB HOLDINGS IRELAND (CH) 2018-01-24 EP disclosed