SCHEMBL9514904

SCHEMBL9514904

CCCCCCN(CC)c1ccc(NCC)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.43
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38

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
SCHEMBL25039667 0.83 CNR2 (0.41) CNR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL103248 0.82 CNR2 (0.58) CNR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL11730871 0.81 MEN1 (0.50) CNR2HDAC6MAPTMEN1NPC1
SCHEMBL28245187 0.79 CNR2 (0.56) CNR2
SCHEMBL11733311 0.79 MEN1 (0.51) CNR2MAPTMEN1NPC1RAB9A
SCHEMBL1815516 0.78 CNR2 (0.46) CNR2NPC1RAB9A
SCHEMBL12677177 0.78 CNR2 (0.46) CNR2NPC1RAB9A
SCHEMBL28122457 0.78 LMNA (0.42) CNR2MEN1NPC1RAB9AKMT2A
SCHEMBL30678627 0.77 TDP1 (0.64) CNR2MAPTNPC1RAB9A
SCHEMBL6879942 0.77 CNR2 (0.49) CNR2

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-0456925-B1 Antioxidant compositions ETHYL PETROLEUM ADDITIVES LTD (GB) 1993-10-20 EP disclosed
EP-0456925-A1 Antioxidant compositions ETHYL PETROLEUM ADDITIVES LIMITED (GB) 1991-11-21 EP disclosed