SCHEMBL5889247

SCHEMBL5889247

NCC(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.58
CTRB1 P17538 2/20 0.57
CTSB P07858 2/20 0.56
TACR1 P25103 2/20 0.51
F2 P00734 1/20 0.51
PLAU P00749 1/20 0.51
PLAT P00750 1/20 0.51
CTSL P07711 2/20 0.50
SPPL2A Q8TCT8 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
ITGB3 P05106 4/20 0.49
ITGA2B P08514 4/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL7320613 1.00 TRPM8 (0.58) TRPM8CTRB1CTSBTACR1F2
SCHEMBL6812568 0.87 TRPM8 (0.60) TRPM8CTRB1CTSBTACR1F2
SCHEMBL6347062 0.87 TRPM8 (0.60) TRPM8CTRB1CTSBTACR1F2
SCHEMBL8536562 0.87 TRPM8 (0.60) TRPM8CTRB1CTSBTACR1F2
SCHEMBL6810019 0.87 TRPM8 (0.60) TRPM8CTRB1CTSBTACR1F2
SCHEMBL8536514 0.87 TRPM8 (0.60) TRPM8CTRB1CTSBTACR1F2
SCHEMBL3023446 0.86 TRPM8 (0.58) TRPM8CTRB1CTSBTACR1F2
SCHEMBL6330557 0.86 TRPM8 (0.58) TRPM8CTRB1CTSBTACR1F2
SCHEMBL3023447 0.86 TRPM8 (0.58) TRPM8CTRB1CTSBTACR1F2
SCHEMBL6500127 0.86 TRPM8 (0.58) TRPM8CTRB1CTSBTACR1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037941-B2 Alpha-and Beta-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2006-05-02 US disclosed
US-6444678-B1 α- and β-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors G. D. SEARLE & CO. 2002-09-03 US disclosed
EP-0558603-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 1998-08-26 EP disclosed
US-5708004-A ENZYME INHIBITORS FOR TREATMENT OF AIDS MONSANTO COMPANY (US) 1998-01-13 US disclosed
EP-0554400-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 1997-07-23 EP disclosed
US-5610190-A Retroviral protease inhibitors G. D. SEARLE & CO. (US) 1997-03-11 US disclosed
EP-0735019-A2 Retroviral protease inhibitors MONSANTO COMPANY (US) 1996-10-02 EP disclosed
EP-0731088-A2 Retroviral protease inhibitors MONSANTO COMPANY (US) 1996-09-11 EP disclosed
US-5510378-A Retroviral protease inhibitors G.D. SEARLE & CO. (US) 1996-04-23 US disclosed
US-5475027-A Retroviral protease inhibitors G.D. SEARLE & CO. (US) 1995-12-12 US disclosed
EP-0554400-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-08-11 EP disclosed
WO-1992008698-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed