SCHEMBL8111336

SCHEMBL8111336

N=C(N)NCCC[C@H](C(=O)NCC(=O)O)N(Cc1ccccc1O)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.35
▸ CNR2 P34972 3/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ NPY1R P25929 2/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ MME P08473 1/20 0.33
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 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
SCHEMBL9198391 0.90 CNR1 (0.35) CNR1CNR2MEN1KMT2AGAA
SCHEMBL8120166 0.90 HDAC3 (0.38) CNR1CNR2KMT2ANPY1RHDAC7
SCHEMBL8112784 0.89 CNR1 (0.41) CNR1CNR2MME
SCHEMBL8127029 0.88 NPY1R (0.41) CNR1CNR2NPY1R
SCHEMBL8120085 0.86 CNR1 (0.36) CNR1CNR2MEN1KMT2ANPY1R
SCHEMBL8122513 0.86 HDAC3 (0.37) CNR1CNR2NPY1RHDAC7MME
SCHEMBL8112714 0.85 MEN1 (0.42) CNR1CNR2MEN1KMT2AF10
SCHEMBL8126149 0.85 TDP1 (0.45) CNR1MEN1KMT2ANPY1R
SCHEMBL8122704 0.85 TPSAB1 (0.36) CNR1CNR2NPY1R
SCHEMBL9196497 0.85 NPY1R (0.36) CNR1MEN1KMT2AGAANPY1R

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 3 patents. 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
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO disclosed
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