SCHEMBL8125782

SCHEMBL8125782

CCOc1ccc(CN(C(=O)C2c3ccccc3NC(=O)c3ccccc32)[C@H](CCCNC(=N)N)C(N)=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.35
▸ NLRP3 Q96P20 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.34
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ EPOR P19235 4/20 0.32
▸ MAPT P10636 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CXCR3 P49682 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8120051 0.92 EPOR (0.34) KDM4ENLRP3ALDH1A1KMT2AMEN1
SCHEMBL27516787 0.79 NPY4R (0.37) —
SCHEMBL7751685 0.79 NPY4R (0.37) —
SCHEMBL7750620 0.77 KMT2A (0.41) KDM4EALDH1A1KMT2AMEN1EPOR
SCHEMBL9195398 0.72 KMT2A (0.41) KDM4EALDH1A1KMT2AMEN1EPOR
SCHEMBL8120666 0.71 NPY4R (0.35) EPOR
SCHEMBL8121285 0.69 EPOR (0.41) KMT2AMEN1EPOR
SCHEMBL6901612 0.68 CNR1 (0.43) ALDH1A1KMT2A
SCHEMBL8124054 0.68 HRH3 (0.39) KDM4EALDH1A1EPOR
SCHEMBL4651831 0.67 CNR1 (0.42) KMT2AMEN1EPOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP disclosed
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