SCHEMBL9801938

SCHEMBL9801938

CCCN1CCN(CCCN)CC1C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
KEAP1 Q14145 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SIGMAR1 Q99720 4/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
EBP Q15125 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
SCHEMBL9801649 0.91 KEAP1 (0.39) KCNJ1KCNH2KEAP1SMN1; SMN2SIGMAR1
SCHEMBL19681647 0.90 GNAI3 (0.42) KCNJ1KCNH2SIGMAR1GNAI3GNAO1
SCHEMBL9801120 0.89 KCNJ1 (0.38) KCNJ1KCNH2KEAP1SMN1; SMN2SIGMAR1
SCHEMBL9801487 0.89 ALOX15 (0.43) KCNJ1KCNH2SIGMAR1GNAI3GNAO1
SCHEMBL9801503 0.88 SIGMAR1 (0.42) KCNJ1KCNH2KEAP1SMN1; SMN2SIGMAR1
SCHEMBL9801097 0.85 KCNJ1 (0.42) KCNJ1KCNH2SIGMAR1CYP2D6
SCHEMBL9801172 0.83 MAPK1 (0.40) KCNJ1KCNH2KEAP1SMN1; SMN2SIGMAR1
SCHEMBL9801364 0.83 SIGMAR1 (0.41) KCNJ1KCNH2SIGMAR1MAPK1
SCHEMBL9801762 0.81 SIGMAR1 (0.37) KEAP1SMN1; SMN2SIGMAR1GNAI3GNAO1
SCHEMBL9801539 0.81 MAPK1 (0.48) KCNJ1KCNH2KEAP1SMN1; SMN2SIGMAR1

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