SCHEMBL11068432

SCHEMBL11068432

CCCCCCC(C)N(C)c1ccc(N(C)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.36
JAK2 O60674 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LTA4H P09960 1/20 0.35
CHKA P35790 1/20 0.34
NR3C2 P08235 1/20 0.34
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL5625535 0.88 OPRM1 (0.37) ALDH1A1
SCHEMBL2258445 0.87 SIGMAR1 (0.39) NPC1JAK2RAB9APAX8NPSR1
SCHEMBL5223757 0.80 CSNK1E (0.42) CSNK1EALDH1A1NPC1JAK2RAB9A
SCHEMBL5226408 0.80 CSNK1E (0.42) CSNK1EALDH1A1NPC1JAK2RAB9A
SCHEMBL27152602 0.79 SLC6A2 (0.40) ALDH1A1MEN1KMT2AKCNH2SIGMAR1
SCHEMBL10879656 0.79 CSNK1E (0.40) CSNK1EALDH1A1NPC1JAK2RAB9A
SCHEMBL2493913 0.78 CSNK1E (0.41) CSNK1EALDH1A1NPC1JAK2RAB9A
SCHEMBL571119 0.78 CSNK1E (0.41) CSNK1EALDH1A1NPC1JAK2RAB9A
SCHEMBL28068560 0.78 CSNK1E (0.41) CSNK1EALDH1A1NPC1JAK2RAB9A
SCHEMBL26050184 0.78 CSNK1E (0.41) CSNK1EALDH1A1NPC1JAK2RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4487759-A PHEROMONES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1984-12-11 US claimed
EP-0047261-B1 STABILISED COMPOSITIONS CONTAINING BEHAVIOUR MODIFYING COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-06-20 EP claimed
US-4487759-A PHEROMONES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1984-12-11 US disclosed
EP-0047261-B1 STABILISED COMPOSITIONS CONTAINING BEHAVIOUR MODIFYING COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-06-20 EP disclosed
EP-0047261-A1 STABILISED COMPOSITIONS CONTAINING BEHAVIOUR MODIFYING COMPOUNDS. ICI PLC (GB) 1982-03-17 EP disclosed
WO-1981002505-A1 STABILISED COMPOSITIONS CONTAINING BEHAVIOUR MODIFYING COMPOUNDS ICI LTD (GB) 1981-09-17 WO disclosed