SCHEMBL9201473

SCHEMBL9201473

COc1ccccc1CN(C(=O)C(c1ccccc1)c1ccccc1)C(CCCNC(=N)N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ CRHBP P24387 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ APP P05067 6/20 0.39

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
SCHEMBL9201203 1.00 MEN1 (0.52) MEN1KMT2ACRHBPCRHR2APP
SCHEMBL9198391 0.87 CNR1 (0.35) MEN1KMT2ACRHBPCRHR2
SCHEMBL9195083 0.85 CNR1 (0.43) KMT2A
SCHEMBL9194746 0.85 CNR1 (0.43) KMT2A
SCHEMBL9272274 0.85 HDAC3 (0.40) MEN1KMT2ACRHBPCRHR2
SCHEMBL9272277 0.85 HDAC3 (0.40) MEN1KMT2ACRHBPCRHR2
SCHEMBL9200548 0.83 MTNR1A (0.41) —
SCHEMBL9200553 0.83 MTNR1A (0.41) —
SCHEMBL9201122 0.82 TDP1 (0.48) MEN1KMT2A
SCHEMBL9196217 0.82 MEN1 (0.42) MEN1KMT2A

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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