SCHEMBL6996553

SCHEMBL6996553

CC(CCNC(=O)c1ccc(C(F)(F)F)cc1)CC(=O)NC12CCCC1OCC2=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.37
DHODH Q02127 1/20 0.36
GCGR P47871 2/20 0.36
NAMPT P43490 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CD274 Q9NZQ7 1/20 0.34
POLB P06746 1/20 0.34
MCHR1 Q99705 1/20 0.34
EPHX2 P34913 1/20 0.34
HTT P42858 1/20 0.33
CHRM4 P08173 1/20 0.33
CCR2 P41597 1/20 0.33

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
SCHEMBL6300590 0.92 ESRRG (0.36) MEN1KMT2APOLBHTT
SCHEMBL6993579 0.90 LMNA (0.38) MEN1KMT2AEPHX2
SCHEMBL7204140 0.88 KMT2A (0.41) NAMPTKMT2A
SCHEMBL6985955 0.80 NAMPT (0.37) DPP4DHODHGCGRNAMPTMEN1
SCHEMBL6294857 0.77 CTSL (0.47)
SCHEMBL6997966 0.77 MEN1 (0.34) DPP4GCGRMEN1KMT2APOLB
SCHEMBL6988551 0.76 TP53 (0.35) DPP4GCGRMEN1KMT2APOLB
SCHEMBL6990244 0.75 TP53 (0.38) GCGRMEN1KMT2APOLBCCR2
SCHEMBL6994214 0.74 MEN1 (0.36) DPP4MEN1KMT2APOLBCCR2
SCHEMBL6294790 0.73 CTSL (0.39)

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