SCHEMBL7939823

SCHEMBL7939823

O=CC(Cl)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 5/20 0.53
▸ CTSS P25774 2/20 0.53
▸ CTSK P43235 2/20 0.53
▸ ACE P12821 2/20 0.52
▸ PTPN1 P18031 1/20 0.51
▸ CTRB1 P17538 5/20 0.50
▸ CA2 P00918 2/20 0.49
▸ GPR132 Q9UNW8 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CTSB P07858 1/20 0.48

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
SCHEMBL7939828 0.84 CTSL (0.57) CTSLCTSSCTSKACEPTPN1
SCHEMBL7942088 0.81 NPSR1 (0.47) CTSLCTSSCTSKACECTSB
SCHEMBL7942661 0.80 PSMB5 (0.45) ACE
SCHEMBL8056323 0.80 CTSL (0.58) CTSLCTSSCTSKACEPTPN1
SCHEMBL25004063 0.80 CTSL (0.62) CTSLCTSSCTSKACEPTPN1
SCHEMBL111236 0.79 ACE (0.76) CTSLCTSSCTSKACEPTPN1
SCHEMBL528464 0.79 ACE (0.76) CTSLCTSSCTSKACEPTPN1
SCHEMBL111235 0.79 ACE (0.76) CTSLCTSSCTSKACEPTPN1
SCHEMBL28419446 0.77 ACE (0.74) CTSLCTSSCTSKACEPTPN1
Hydrochloric Acid SCHEMBL10622640 0.77 ACE (0.74) CTSLCTSSCTSKACEPTPN1

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
Send feedback