SCHEMBL7214968

SCHEMBL7214968

O=C[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.58
CTRB1 P17538 2/20 0.53
CTSL P07711 2/20 0.49
OPRK1 P41145 1/20 0.49
CAPN1 P07384 1/20 0.48
CTSS P25774 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
SCHEMBL3132344 0.92 CTSB (0.66) CTSBCTRB1CTSLCAPN1CTSS
SCHEMBL3337955 0.92 CTSB (0.66) CTSBCTRB1CTSLCAPN1CTSS
SCHEMBL630290 0.92 CTSB (0.66) CTSBCTRB1CTSLCAPN1CTSS
SCHEMBL7436543 0.90 CTSB (0.60) CTSBCTRB1CTSLCAPN1CTSS
SCHEMBL3132335 0.90 CTSB (0.60) CTSBCTRB1CTSLCAPN1CTSS
SCHEMBL5859417 0.89 CTSB (0.54) CTSBCTRB1CTSLCTSS
SCHEMBL5929919 0.89 CTSB (0.54) CTSBCTRB1CTSLCTSS
SCHEMBL14884508 0.88 CTSB (0.59) CTSBCTRB1CTSLCTSS
SCHEMBL13725177 0.85 CTSB (0.62) CTSBCTRB1CTSL
SCHEMBL3132690 0.85 ATM (0.61) CTSBCTRB1CTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4650785-A ORAL ADMINISTRATION OF INSULIN AJINOMOTO COMPANY INCOPORATED (JP) 1987-03-17 US claimed
EP-0093551-A2 Pharmaceutical composition AJINOMOTO CO., INC. (JP) 1983-11-09 EP claimed
US-6503898-B1 Administering 4,7-dibenzyl-5,6-dihydroxy-N,N*-di(m-aminobenzyl)--1,3-diazepin-2-one or salt to treat human immunodeficiency virus infection BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-07 US disclosed
US-RE37781-E1 VIRICIDES, PROTEASE INHIBITOR DUPONT PHARMACEUTICALS COMPANY 2002-07-02 US disclosed
EP-1153921-A2 Cyclic ureas and analogues useful as retroviral protease inhibitors Dupont Pharmaceuticals Company (US) 2001-11-14 EP disclosed
US-5811422-A USEFUL FOR TREATING VIRAL INFECTIONS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 US disclosed
EP-0858999-A1 Substituted cyclic carbonyls and derivatives thereof useful as retroviral protease inhibitors THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-08-19 EP disclosed
EP-0607334-B1 CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS DU PONT MERCK PHARMA (US) 1997-07-30 EP disclosed
EP-0765873-A1 Cyclic ureas and analogues useful as retroviral protease inhibitors THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-04-02 EP disclosed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 US disclosed
EP-0686151-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-12-13 EP disclosed
WO-1994019329-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-09-01 WO disclosed
EP-0607334-A1 CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS. DU PONT MERCK PHARMA (US) 1994-07-27 EP disclosed
WO-1993007128-A1 CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-04-15 WO disclosed
US-4670584-A PHENYLALANINE DERIVATIVES FOR INSULIN AND OTHER DRUGS AJINOMOTO COMPANY INCORPORATED (JP) 1987-06-02 US disclosed
US-4650785-A ORAL ADMINISTRATION OF INSULIN AJINOMOTO COMPANY INCOPORATED (JP) 1987-03-17 US disclosed
US-4650785-A ORAL ADMINISTRATION OF INSULIN AJINOMOTO COMPANY INCOPORATED (JP) 1987-03-17 US disclosed