SCHEMBL9801167

SCHEMBL9801167

CCN1CCN(CCN)CC1C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK1 P28482 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRM1 P11229 1/20 0.32
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 1/20 0.30

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
SCHEMBL9801503 0.89 SIGMAR1 (0.42) ALOX15SIGMAR1KCNJ1KCNH2MAPK1
SCHEMBL8736521 0.88 ALOX15 (0.48) ALOX15SIGMAR1KCNJ1KCNH2MAPK1
SCHEMBL18912885 0.88 ALOX15 (0.48) ALOX15SIGMAR1KCNJ1KCNH2MAPK1
SCHEMBL9801487 0.87 ALOX15 (0.43) ALOX15SIGMAR1KCNJ1KCNH2MAPK1
SCHEMBL9801551 0.84 SIGMAR1 (0.46) SIGMAR1KCNJ1KCNH2MAPK1CYP2D6
SCHEMBL278051 0.81 SIGMAR1 (0.50) SIGMAR1KCNJ1KCNH2CYP2D6CYP2C19
SCHEMBL12942334 0.81 SIGMAR1 (0.50) SIGMAR1KCNJ1KCNH2CYP2D6CYP2C19
SCHEMBL12942333 0.81 SIGMAR1 (0.50) SIGMAR1KCNJ1KCNH2CYP2D6CYP2C19
SCHEMBL9801234 0.81 MAPK1 (0.49) SIGMAR1KCNJ1KCNH2MAPK1CYP2D6
SCHEMBL13374288 0.79 SIGMAR1 (0.49) SIGMAR1KCNJ1KCNH2CYP2D6CYP2C19

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