SCHEMBL25865236

SCHEMBL25865236

CN(CCCN)CC1CCCN1CCCN

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
S1PR1 P21453 3/20 0.34
S1PR3 Q99500 3/20 0.34
S1PR5 Q9H228 3/20 0.34
S1PR4 O95977 1/20 0.34
CHRM2 P08172 1/20 0.33
ADRA1D P25100 4/20 0.31
ADRA1A P35348 4/20 0.31
ADRA1B P35368 4/20 0.31
HSD17B10 Q99714 1/20 0.30
OPRD1 P41143 1/20 0.30
SPHK2 Q9NRA0 2/20 0.30
SPHK1 Q9NYA1 2/20 0.30
ARG1 P05089 2/20 0.30
ARG2 P78540 2/20 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
SCHEMBL18912751 0.84 SIGMAR1 (0.41) SIGMAR1S1PR1S1PR3S1PR5S1PR4
SCHEMBL9824405 0.81 S1PR1 (0.37) S1PR1S1PR3S1PR5S1PR4ADRA1D
SCHEMBL9825025 0.76 S1PR1 (0.36) SIGMAR1S1PR1S1PR3S1PR5S1PR4
SCHEMBL22010406 0.76 SIGMAR1 (0.38) SIGMAR1S1PR1S1PR3S1PR5S1PR4
SCHEMBL14509645 0.76 ADRA1D (0.37) S1PR1S1PR3S1PR5S1PR4ADRA1D
SCHEMBL9824391 0.75 S1PR1 (0.38) S1PR1S1PR3S1PR5S1PR4CHRM2
SCHEMBL10687856 0.73 SPHK2 (0.47) S1PR1S1PR3S1PR5S1PR4ADRA1D
SCHEMBL2672891 0.73 SPHK2 (0.47) S1PR1S1PR3S1PR5S1PR4ADRA1D
SCHEMBL2672892 0.73 SPHK2 (0.47) S1PR1S1PR3S1PR5S1PR4ADRA1D
SCHEMBL7309724 0.72 ARG1 (0.47) S1PR1S1PR3S1PR5S1PR4ARG1

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
WO-2023134325-A1 LIPID COMPOUND, COMPOSITION CONTAINING SAME, AND USE 华南理工大学 2023-07-20 WO disclosed