SCHEMBL9196808

SCHEMBL9196808

NC(=O)[C@H](CCC(N)C(N)=N[N+](=O)[O-])N(Cc1ccc(-c2ccc(O)cc2)cc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPY1R P25929 3/20 0.32
▸ NPFFR1 Q9GZQ6 2/20 0.32
▸ NPFFR2 Q9Y5X5 2/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ MC4R P32245 2/20 0.31
▸ MC5R P33032 1/20 0.31
▸ MC3R P41968 1/20 0.31
▸ LTB4R2 Q9NPC1 1/20 0.31

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
SCHEMBL9203185 0.97 TDP1 (0.34) MAPTHTTNPSR1TDP1MEN1
SCHEMBL9203349 0.88 — —
SCHEMBL9199475 0.88 KMT2A (0.36) MAPTHTTNPSR1MEN1KMT2A
SCHEMBL9196838 0.88 TDP1 (0.37) MAPTHTTNPSR1TDP1MEN1
SCHEMBL9194668 0.87 TDP1 (0.39) MAPTHTTNPSR1TDP1MEN1
SCHEMBL9198354 0.85 KMT2A (0.32) MAPTHTTNPSR1TDP1MEN1
SCHEMBL9195383 0.84 NR3C2 (0.35) TDP1MEN1KMT2A
SCHEMBL9201326 0.83 ALDH1A1 (0.37) MAPTHTTNPSR1TDP1MEN1
SCHEMBL9195755 0.83 ALDH1A1 (0.37) MAPTHTTNPSR1MEN1KMT2A
SCHEMBL9198184 0.83 MAPT (0.33) MAPTHTTNPSR1

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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