SCHEMBL21243732

SCHEMBL21243732

CCCCCN(C)[C@@H](CC)NC

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.41
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
GGPS1 O95749 3/20 0.32
EPHX1 P07099 1/20 0.31

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
SCHEMBL3664329 0.84 PRMT3 (0.31)
SCHEMBL25220220 0.83 DNM1 (0.43) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL5499687 0.81 PRMT3 (0.41) EPHX1
SCHEMBL21005810 0.76 DNM1 (0.42) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL25661089 0.75 DNM1 (0.38) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL30954425 0.73 MMP1 (0.30)
SCHEMBL23563301 0.73 DNM1 (0.44) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL1081915 0.70
SCHEMBL13078797 0.70 DNM1 (0.46) DNM1GGPS1
SCHEMBL12810534 0.70 DNM1 (0.52) DNM1S1PR2S1PR1S1PR3S1PR5

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
EP-3521272-A1 STILBENE DERIVATIVE AND METHOD FOR PREPARING SAME Ozchela Inc. (KR) 2019-08-07 EP disclosed