SCHEMBL20016352

SCHEMBL20016352

CCC(=N)NCCCC(C)N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
DPP7 Q9UHL4 2/20 0.34
RRM1 P23921 1/20 0.32
EPHX1 P07099 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA3 P34903 2/20 0.30
GABRA2 P47869 2/20 0.30
GABRB2 P47870 2/20 0.30
GABRA4 P48169 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
SCHEMBL20016346 0.81 ALDH1A1 (0.41) OPRM1TP53ALDH1A1TDP1
SCHEMBL20969045 0.79 MEN1 (0.42) OPRM1TP53ALDH1A1TDP1DPP7
SCHEMBL8068088 0.79 OPRM1 (0.39) OPRM1TP53ALDH1A1TDP1DPP7
SCHEMBL463757 0.79 MEN1 (0.42) OPRM1TP53ALDH1A1TDP1DPP7
SCHEMBL13865707 0.79 MEN1 (0.42) OPRM1TP53ALDH1A1TDP1DPP7
SCHEMBL20016344 0.78 OPRM1 (0.40) OPRM1TP53ALDH1A1TDP1DPP7
SCHEMBL12028934 0.78 OTC (0.51) DPP7MEN1KMT2A
SCHEMBL20016354 0.76 ALDH1A1 (0.39) OPRM1TP53ALDH1A1TDP1DPP7
SCHEMBL20235719 0.75 DPP7 (0.42) DPP7RRM1MEN1KMT2AGNAI3
SCHEMBL14421541 0.74 OPRM1 (0.35) OPRM1TP53ALDH1A1TDP1DPP7

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-9932540-B2 Method for refining lipid phases, and use DREI LILIEN PVG GMBH & CO. KG (DE) 2018-04-03 US disclosed