SCHEMBL9801487

SCHEMBL9801487

CCCN1CCN(CCN)CC1C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPK1 P28482 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
GNAI3 P08754 2/20 0.33
GNAO1 P09471 2/20 0.33
GNAI1 P63096 2/20 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
SCHEMBL18912885 0.90 ALOX15 (0.48) ALOX15KCNJ1KCNH2MAPK1SIGMAR1
SCHEMBL8736521 0.90 ALOX15 (0.48) ALOX15KCNJ1KCNH2MAPK1SIGMAR1
SCHEMBL9801938 0.89 KCNJ1 (0.37) KCNJ1KCNH2MAPK1SIGMAR1CYP2D6
SCHEMBL9801097 0.88 KCNJ1 (0.42) KCNJ1KCNH2SIGMAR1CYP2D6CYP2C19
SCHEMBL9801167 0.87 ALOX15 (0.44) ALOX15KCNJ1KCNH2MAPK1SIGMAR1
SCHEMBL9801966 0.81 MAPK1 (0.47) KCNJ1KCNH2MAPK1SIGMAR1CYP2D6
SCHEMBL9801120 0.81 KCNJ1 (0.38) ALOX15KCNJ1KCNH2MAPK1SIGMAR1
SCHEMBL9801391 0.80 MAPK1 (0.50) ALOX15KCNJ1KCNH2MAPK1SIGMAR1
SCHEMBL9801291 0.80 ALOX15 (0.41) ALOX15SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL19681647 0.80 GNAI3 (0.42) KCNJ1KCNH2SIGMAR1GNAI3GNAO1

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