SCHEMBL7420051

SCHEMBL7420051

CCOC(=O)CNC(C)(C(=O)N1CCCC1)c1ccc2c(c1)nc(CNc1ccccc1C#N)n2C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.55
F10 P00742 2/20 0.55
HDAC6 Q9UBN7 4/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HDAC1 Q13547 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NLRP3 Q96P20 1/20 0.35
NQO2 P16083 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 3/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4451687 0.87 F2 (0.64) F2F10HDAC6NPC1RAB9A
SCHEMBL4451691 0.87 F2 (0.64) F2F10HDAC6NPC1RAB9A
SCHEMBL7420048 0.82 F2 (0.50) F2F10HDAC6NPC1RAB9A
SCHEMBL7420044 0.82 F2 (0.50) F2F10HDAC6NPC1RAB9A
SCHEMBL7415304 0.81 F2 (0.59) F2F10HDAC6NPC1RAB9A
SCHEMBL4443593 0.81 F2 (0.83) F2F10HDAC6NPC1RAB9A
SCHEMBL4443592 0.81 F2 (0.83) F2F10HDAC6NPC1RAB9A
SCHEMBL7097035 0.80 F2 (0.68) F2F10HDAC6NPC1RAB9A
SCHEMBL7416848 0.80 F2 (0.68) F2F10HDAC6NPC1RAB9A
SCHEMBL7413418 0.80 F2 (0.70) F2F10HDAC6NPC1RAB9A

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
US-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 US disclosed