SCHEMBL23767407

SCHEMBL23767407

CCCCCN1CCCC2C1CCCN2CCCCC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.49
S1PR3 Q99500 2/20 0.49
S1PR5 Q9H228 2/20 0.49
S1PR4 O95977 1/20 0.49
OPRM1 P35372 1/20 0.44
SPHK2 Q9NRA0 2/20 0.43
SPHK1 Q9NYA1 2/20 0.43
GBA1 P04062 1/20 0.42
GNAI3 P08754 2/20 0.41
GNAO1 P09471 2/20 0.41
GNAI1 P63096 2/20 0.41
NR1I2 O75469 1/20 0.40
BCHE P06276 1/20 0.40

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
SCHEMBL18154061 0.87 S1PR1 (0.47) S1PR1S1PR3S1PR5S1PR4OPRM1
SCHEMBL21210555 0.87 OPRM1 (0.49) S1PR1S1PR3S1PR5S1PR4OPRM1
SCHEMBL29758282 0.87 S1PR1 (0.47) S1PR1S1PR3S1PR5S1PR4OPRM1
SCHEMBL9491709 0.85 S1PR1 (0.47) S1PR1S1PR3S1PR5S1PR4
SCHEMBL28143835 0.83 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4GBA1
SCHEMBL28122642 0.83 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4GBA1
SCHEMBL15363013 0.83 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4GBA1
SCHEMBL15363078 0.83 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4GBA1
SCHEMBL11573927 0.83 OPRM1 (0.46) S1PR1S1PR3S1PR5S1PR4OPRM1
SCHEMBL15363084 0.82 S1PR1 (0.45) S1PR1S1PR3S1PR5S1PR4OPRM1

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-2021163339-A1 CATIONIC LIPIDS FOR LIPID NANOPARTICLE DELIVERY OF THERAPEUTICS TO HEPATIC STELLATE CELLS GENEVANT SCIENCES GMBH (US) 2021-08-19 WO disclosed