SCHEMBL9801323

SCHEMBL9801323

CC1CN(CCCN)CCN1C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIGMAR1 Q99720 2/20 0.37
CYP2D6 P10635 1/20 0.37
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
ACE2 Q9BYF1 1/20 0.33
OPRM1 P35372 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
SCHEMBL9801141 0.88 ALOX15 (0.50) SMN1; SMN2SIGMAR1ALOX15MAPK1ACE2
SCHEMBL9801649 0.82 KEAP1 (0.39) KEAP1SMN1; SMN2SIGMAR1CYP2D6HSD17B10
SCHEMBL23254154 0.81 ALOX15 (0.35) SMN1; SMN2ALOX15MAPK1
SCHEMBL9801120 0.81 KCNJ1 (0.38) KEAP1SMN1; SMN2SIGMAR1CYP2D6HSD17B10
SCHEMBL9802128 0.80 MAPK1 (0.42) SIGMAR1MAPK1OPRM1
SCHEMBL9801503 0.79 SIGMAR1 (0.42) KEAP1SMN1; SMN2SIGMAR1CYP2D6HSD17B10
SCHEMBL23657251 0.78 HRH3 (0.35) SMN1; SMN2SIGMAR1
SCHEMBL9801938 0.78 KCNJ1 (0.37) KEAP1SMN1; SMN2SIGMAR1CYP2D6HSD17B10
SCHEMBL6202513 0.77 SIGMAR1 (0.34) SIGMAR1MAPK1
SCHEMBL9801794 0.77 KEAP1 (0.38) KEAP1SMN1; SMN2SIGMAR1CYP2D6HSD17B10

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-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed