SCHEMBL8474522

SCHEMBL8474522

CN(C)CCC(O)CN1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.62
L3MBTL1 Q9Y468 4/20 0.51
HSD17B10 Q99714 1/20 0.44
CYP2D6 P10635 1/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL8474906 0.83 KMT2A (0.56) USP2L3MBTL1HSD17B10CYP2D6TSHR
SCHEMBL8475416 0.81 MEN1 (0.59) L3MBTL1HSD17B10CYP2D6TSHRALDH1A1
SCHEMBL18159900 0.79 USP2 (0.69) USP2L3MBTL1HSD17B10CYP2D6TSHR
SCHEMBL22354498 0.79 USP2 (0.75) USP2L3MBTL1HSD17B10CYP2D6TSHR
SCHEMBL709506 0.78 USP2 (1.00) USP2L3MBTL1HSD17B10CYP2D6TSHR
SCHEMBL19060953 0.78 USP2 (0.67) USP2L3MBTL1HSD17B10CYP2D6TSHR
SCHEMBL5481687 0.78 HSD17B10 (0.61) USP2L3MBTL1HSD17B10ALDH1A1ATM
SCHEMBL10949734 0.77 USP2 (0.41) USP2L3MBTL1HSD17B10CYP2D6TSHR
SCHEMBL8475076 0.77 MEN1 (0.36) USP2CYP2D6TSHRATMSMN1; SMN2
SCHEMBL734049 0.77 USP2 (0.72) USP2L3MBTL1HSD17B10CYP2D6TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012071102-A2 BUFFER COMPOUNDS SACHEM, INC. (US) 2012-05-31 WO disclosed
US-20120129240-A1 BUFFER COMPOUNDS SACHEM, INC. 2012-05-24 US disclosed