SCHEMBL23904632

SCHEMBL23904632

CC(N)CCCN(CCO)CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.38
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33
GABRQ Q9UN88 2/20 0.33

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
SCHEMBL8625402 0.90 OPRM1 (0.41) OPRM1ALDH1A1TDP1TP53GABRP
SCHEMBL18283422 0.90 OPRM1 (0.41) OPRM1ALDH1A1TDP1TP53GABRP
SCHEMBL5787559 0.90 OPRM1 (0.41) OPRM1ALDH1A1TDP1TP53GABRP
SCHEMBL29881672 0.90 OPRM1 (0.41) OPRM1ALDH1A1TDP1TP53GABRP
SCHEMBL29198100 0.82 CHRM2 (0.34) OPRM1
SCHEMBL9945683 0.81 ALDH1A1 (0.38) OPRM1ALDH1A1MAPT
SCHEMBL18838937 0.80 OPRM1 (0.39) OPRM1ALDH1A1TDP1TP53GABRP
Trolamine SCHEMBL28683075 0.80 MAPT (0.40) ALDH1A1TDP1MAPT
Trolamine SCHEMBL8012449 0.78 CYP1A2 (0.35) ALDH1A1MAPT
Trolamine SCHEMBL8470603 0.78 ALDH1A1 (0.53) ALDH1A1MAPT

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-2021202669-A2 NUCLEOSIDE AND NUCLEOTIDE CONJUGATE COMPOUNDS AND USES THEREOF REYOUNG CORPORATION (US) 2021-10-07 WO disclosed