SCHEMBL9801503

SCHEMBL9801503

CCN1CCN(CCCN)CC1C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
KEAP1 Q14145 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP2D6 P10635 2/20 0.34
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALOX15 P16050 1/20 0.32
OPRM1 P35372 1/20 0.32

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 0.89 KEAP1 (0.39) SIGMAR1KEAP1SMN1; SMN2KCNJ1KCNH2
SCHEMBL9801167 0.89 ALOX15 (0.44) SIGMAR1KCNJ1KCNH2CYP2D6MAPK1
SCHEMBL9801938 0.88 KCNJ1 (0.37) SIGMAR1KEAP1SMN1; SMN2KCNJ1KCNH2
SCHEMBL9801120 0.87 KCNJ1 (0.38) SIGMAR1KEAP1SMN1; SMN2KCNJ1KCNH2
SCHEMBL19681647 0.85 GNAI3 (0.42) SIGMAR1KCNJ1KCNH2
SCHEMBL9801553 0.82 SIGMAR1 (0.46) SIGMAR1KCNJ1KCNH2CYP2D6MAPK1
SCHEMBL9801172 0.81 MAPK1 (0.40) SIGMAR1KEAP1SMN1; SMN2KCNJ1KCNH2
SCHEMBL9801551 0.81 SIGMAR1 (0.46) SIGMAR1KCNJ1KCNH2CYP2D6MAPK1
SCHEMBL9801740 0.81 KEAP1 (0.36) SIGMAR1KEAP1SMN1; SMN2CYP2D6HSD17B10
SCHEMBL9801249 0.80 KEAP1 (0.33) SIGMAR1KEAP1SMN1; SMN2KCNJ1KCNH2

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