SCHEMBL8127573

SCHEMBL8127573

COc1cccc(CCN[C@@H](CCCNC(=N)N)C(=O)N(CC(=O)O)C(=O)C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.42
▸ MTNR1B P49286 3/20 0.42
▸ HAT1 O14929 2/20 0.41
▸ EP300 Q09472 2/20 0.41
▸ SLC2A1 P11166 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL8129753 0.93 BCHE (0.40) MTNR1AMTNR1B
SCHEMBL8120019 0.91 ITGB3 (0.41) HAT1EP300KMT2A
SCHEMBL8126974 0.86 ASAH1 (0.41) KMT2A
SCHEMBL8122078 0.85 CASR (0.44) —
SCHEMBL4651007 0.85 HAT1 (0.45) MTNR1AMTNR1BHAT1EP300KMT2A
SCHEMBL8120771 0.84 NPY1R (0.44) —
SCHEMBL8122083 0.80 NPY1R (0.40) —
SCHEMBL8112524 0.80 KMT2A (0.47) KMT2A
SCHEMBL8119335 0.80 TRPV1 (0.41) MTNR1AMTNR1BKMT2A
SCHEMBL8127804 0.80 GAA (0.41) KMT2A

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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