SCHEMBL8112776

SCHEMBL8112776

NCCC[C@H](C(=O)NCC(=O)O)N(Cc1ccccc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPOR P19235 2/20 0.41
▸ CNR1 P21554 2/20 0.40
▸ MME P08473 5/20 0.39
▸ ACE P12821 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ECE1 P42892 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ NPEPPS P55786 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8126683 0.94 EPOR (0.41) EPORCNR1CNR2TDP1
SCHEMBL8120140 0.90 CNR1 (0.44) EPORCNR1ALDH1A1KMT2ACNR2
SCHEMBL8112784 0.86 CNR1 (0.41) EPORCNR1MMEACEALDH1A1
SCHEMBL8650060 0.84 TDP1 (0.41) EPORALDH1A1MEN1KMT2ATDP1
SCHEMBL8122513 0.81 HDAC3 (0.37) EPORCNR1MMECNR2TDP1
SCHEMBL8127029 0.81 NPY1R (0.41) EPORCNR1CNR2
SCHEMBL8120085 0.81 CNR1 (0.36) EPORCNR1MEN1KMT2ACNR2
SCHEMBL8112714 0.80 MEN1 (0.42) CNR1MEN1KMT2ACNR2TDP1
SCHEMBL8122704 0.80 TPSAB1 (0.36) EPORCNR1CNR2TDP1
SCHEMBL8126149 0.80 TDP1 (0.45) EPORCNR1MEN1KMT2ATDP1

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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