SCHEMBL10201149

SCHEMBL10201149

CC1CC[C@@H](c2nc3ccc(C#Cc4ccc5c(ccc6nc([C@@H]7CC[C@H](C)N7)[nH]c65)c4)cc3[nH]2)N1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SCN10A Q9Y5Y9 2/20 0.35
NPY5R Q15761 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.31
USP30 Q70CQ3 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL13221481 1.00 NPC1 (0.36) NPC1RAB9ASCN10ANPY5RAAK1
SCHEMBL19488500 0.92 SCN10A (0.48) NPC1RAB9ASCN10ANPY5R
SCHEMBL19488598 0.86
SCHEMBL12373613 0.86 TYMS (0.33)
SCHEMBL12403377 0.86 AAK1 (0.43) NPC1RAB9ASCN10ANPY5RAAK1
SCHEMBL10201776 0.82 SCN10A (0.53) NPC1RAB9ASCN10ANPY5RKDM4E
SCHEMBL10201772 0.81 SCN10A (0.32) NPC1RAB9ASCN10ANPY5R
SCHEMBL13221474 0.81 SCN10A (0.32) NPC1RAB9ASCN10ANPY5R
SCHEMBL19488530 0.80 BACE1 (0.33) NPY5RMAPTALDH1A1
SCHEMBL12403379 0.78 MAPK1 (0.30)

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
WO-2012018325-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 WO disclosed