SCHEMBL8890920

SCHEMBL8890920

N#Cc1ccc(N2CC(C(=O)N3CCC(C(=O)OCc4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.39
GRM2 Q14416 1/20 0.39
POLB P06746 1/20 0.38
HSD11B1 P28845 1/20 0.38
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
PGGT1B P53609 2/20 0.38
CHRM4 P08173 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL7517993 0.88 L3MBTL1 (0.40) L3MBTL1SMN1; SMN2NPC1RAB9AGRM2
SCHEMBL8893356 0.85 SMN1; SMN2 (0.42) HPGDSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL8894267 0.85 PRSS1 (0.51) HPGDSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL8892948 0.85 SMN1; SMN2 (0.44) HPGDSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL8891751 0.85 FNTA (0.45) L3MBTL1GRM2POLBFNTAFNTB
SCHEMBL8948663 0.84 L3MBTL1 (0.49) L3MBTL1HPGDGRM2CHRM4
SCHEMBL8948589 0.84 L3MBTL1 (0.49) L3MBTL1HPGDGRM2CHRM4
SCHEMBL8948720 0.84 L3MBTL1 (0.49) L3MBTL1HPGDGRM2CHRM4
SCHEMBL8893748 0.83 HPGD (0.44) HPGDSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL8892614 0.80 HPGD (0.43) HPGDSMN1; SMN2CYP2C19CTSL

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
CN-1204889-C Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2005-06-08 CN disclosed
US-5614535-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US disclosed
CN-1125575-A Adhesion receptor antagonists MERCK PATENT GMBH (DE) 1996-07-03 CN disclosed