SCHEMBL6986470

SCHEMBL6986470

CN(C)c1ccc(C(=O)NCC(C(=O)NC23CCCC2OCC3=O)c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 6/20 0.37
TP53 P04637 3/20 0.37
LMNA P02545 4/20 0.36
GLP1R P43220 1/20 0.33
GCGR P47871 1/20 0.33
SLC6A3 Q01959 4/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
MCL1 Q07820 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6992764 0.92 HPGD (0.39) HPGDKMT2ANPC1SMN1; SMN2LMNA
SCHEMBL6988021 0.91 NPC1 (0.39) HPGDKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL6996937 0.90 TP53 (0.40) HPGDMAPTTP53LMNAGLP1R
SCHEMBL6989694 0.89 KMT2A (0.40) HPGDKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL6992598 0.88 AKT1 (0.38) HPGDKMT2AGLP1RGCGRSLC6A3
SCHEMBL6993839 0.88 HTR1A (0.39) HPGDKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL7144829 0.85 TRPV1 (0.42) GCGR
SCHEMBL6994067 0.83 RAB9A (0.41) KMT2ANPC1SMN1; SMN2TP53LMNA
SCHEMBL6695685 0.81 CTSB (0.45) HPGDKMT2ANPC1SMN1; SMN2
SCHEMBL6988745 0.81 CTSK (0.35) HPGDKMT2ANPC1SMN1; SMN2MAPT

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-1358176-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
WO-2002057246-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed