SCHEMBL9198391

SCHEMBL9198391

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.35
▸ CNR2 P34972 3/20 0.35
▸ C3AR1 Q16581 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ NPY1R P25929 2/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ ALOX15 P16050 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
SCHEMBL8111336 0.90 CNR1 (0.35) CNR1CNR2MEN1KMT2AGAA
SCHEMBL9272277 0.89 HDAC3 (0.40) CNR1CNR2C3AR1MEN1KMT2A
SCHEMBL9272274 0.89 HDAC3 (0.40) CNR1CNR2C3AR1MEN1KMT2A
SCHEMBL9201203 0.87 MEN1 (0.52) MEN1KMT2ACRHBPCRHR2
SCHEMBL9201473 0.87 MEN1 (0.52) MEN1KMT2ACRHBPCRHR2
SCHEMBL9195693 0.87 NPY1R (0.42) CNR1CNR2NPY1R
SCHEMBL9271856 0.86 CNR1 (0.38) CNR1CNR2MEN1KMT2AF10
SCHEMBL9200838 0.85 CNR1 (0.42) CNR1CNR2C3AR1MEN1KMT2A
SCHEMBL9199350 0.84 MEN1 (0.38) CNR1C3AR1MEN1KMT2AF10
SCHEMBL9271707 0.84 MEN1 (0.38) CNR1C3AR1MEN1KMT2AF10

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-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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