SCHEMBL8312608

SCHEMBL8312608

CN(C)Cc1ccc(NCC(O)CO)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
SPHK1 Q9NYA1 1/20 0.39
MAPT P10636 5/20 0.39
LSS P48449 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HDAC4 P56524 1/20 0.37
MEF2D Q14814 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HTT P42858 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7308100 0.77 MAPT (0.41) SPHK1MAPTALDH1A1HTTGAA
SCHEMBL12126047 0.77 MAPT (0.44) SPHK1MAPTALDH1A1HTTGAA
SCHEMBL26929021 0.77 MAPT (0.50) MAPTALDH1A1HTTGAAMEN1
SCHEMBL33651 0.73 MAPT (0.41) SPHK1MAPTALDH1A1HTTGAA
SCHEMBL28827422 0.73 MAPT (0.41) SPHK1MAPTALDH1A1HTTGAA
SCHEMBL17988078 0.73 MAPT (0.41) SPHK1MAPTALDH1A1HTTGAA
SCHEMBL10881327 0.72 MAPT (0.45) MAPTALDH1A1HTTGAAMEN1
SCHEMBL6413099 0.72 MAPT (0.61) MAPTALDH1A1HTTGAAMEN1
SCHEMBL15219075 0.72 HRH3 (0.54) HRH3MAPTLSSALDH1A1TSHR
SCHEMBL1298434 0.72 MAPT (0.61) MAPTALDH1A1HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623615-B1 Substituted 1-phenyl-oxazolidin-2-one derivatives, their preparation and their use as adhesion-receptor antagonists MERCK PATENT GMBH (DE) 1999-06-30 EP disclosed
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed
EP-0623615-A1 Adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1994-11-09 EP disclosed