SCHEMBL7940906

SCHEMBL7940906

O=C(N[C@@H](Cc1ccccc1)C(=O)C(Cl)C(=O)C(Cl)C(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCCC1)C1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 4/20 0.56
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ USP30 Q70CQ3 6/20 0.53
▸ CTSV O60911 2/20 0.52
▸ CTSL P07711 2/20 0.52
▸ CTSS P25774 2/20 0.52
▸ CTSK P43235 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.51

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
SCHEMBL7939801 0.88 CHRNB2 (0.44) PSMB5MEN1KMT2ALMNATDP1
SCHEMBL7940901 0.86 PSMB5 (0.53) PSMB5MEN1KMT2ALMNATDP1
SCHEMBL7778087 0.85 LMNA (0.71) PSMB5MEN1KMT2ALMNATDP1
SCHEMBL16452917 0.85 LMNA (0.71) PSMB5MEN1KMT2ALMNATDP1
SCHEMBL4889588 0.85 LMNA (0.71) PSMB5MEN1KMT2ALMNATDP1
SCHEMBL9716670 0.85 LMNA (0.71) PSMB5MEN1KMT2ALMNATDP1
SCHEMBL10665563 0.84 LMNA (0.73) PSMB5MEN1KMT2ALMNATDP1
SCHEMBL9234559 0.84 LMNA (0.73) PSMB5MEN1KMT2ALMNATDP1
SCHEMBL5612699 0.84 LMNA (0.73) PSMB5MEN1KMT2ALMNATDP1
SCHEMBL7939814 0.82 NPC1 (0.53) —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242448-B1 Trisubstituted-oxazole derivatives as serotonin ligands AMERICAN HOME PRODUCTS CORPORATION 2001-06-05 — — US disclosed
EP-1053235-A1 OXAZOLE DERIVATIVES AS SEROTONIN-1A RECEPTOR AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-22 — — EP disclosed
US-6057340-A Oxazole derivatives as serotonin-1A receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-02 — — US disclosed
WO-1999038864-A1 OXAZOLE DERIVATIVES AS SEROTONIN-1A RECEPTOR AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-05 — — WO disclosed
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