SCHEMBL21062042

SCHEMBL21062042

CN(C)[C@H](C=O)CCc1ccc(N2CCOCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SLC13A5 Q86YT5 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
GAA P10253 2/20 0.40
ALOX15 P16050 2/20 0.40
MAPK1 P28482 2/20 0.40
ALOX12 P18054 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.40
RORC P51449 3/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 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
SCHEMBL8160960 1.00 MAPT (0.43) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL2008435 0.80 RORC (0.46) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL21593844 0.76 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL21062091 0.75 NPC1 (0.49) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL23880807 0.74 NPC1 (0.50) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL2719215 0.74 RORC (0.46) MAPTSMN1; SMN2SLC13A5L3MBTL1LMNA
SCHEMBL4369405 0.73 RORC (0.45) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL13680782 0.73 SLC13A5 (0.49) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL5527912 0.73 ACACB (0.51) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL1701348 0.72 PIK3CD (0.51) MAPTALDH1A1SMN1; SMN2KDM4ENPC1

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
EP-3724280-A1 COMPOSITIONS AND METHODS FOR HIGH-TEMPERATURE JETTING OF VISCOUS THERMOSETS TO CREATE SOLID ARTICLES VIA ADDITIVE FABRICATION DSM IP Assets B.V. (NL) 2020-10-21 EP disclosed
WO-2019117723-A1 COMPOSITIONS AND METHODS FOR HIGH-TEMPERATURE JETTING OF VISCOUS THERMOSETS TO CREATE SOLID ARTICLES VIA ADDITIVE FABRICATION DSM IP ASSETS B.V. (NL) 2019-06-20 WO disclosed