SCHEMBL893198

SCHEMBL893198

N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 19/20 0.55
MEN1 O00255 1/20 0.54
SLC22A2 O15244 1/20 0.54
SLC22A1 O15245 1/20 0.54
ABCC3 O15438 1/20 0.54
ABCC4 O15439 1/20 0.54
MLNR O43193 1/20 0.54
NR1I2 O75469 1/20 0.54
SLCO2B1 O94956 1/20 0.54
ABCB11 O95342 1/20 0.54
ALDH1A1 P00352 1/20 0.54
PGR P06401 1/20 0.54
ABCB1 P08183 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
CHRM1 P11229 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL893383 1.00 CYP3A4 (0.55) CYP3A4MEN1SLC22A2SLC22A1ABCC3
Hydrochloric Acid SCHEMBL31236647 0.99 CYP3A4 (0.55) CYP3A4MEN1SLC22A2SLC22A1ABCC3
Hydrochloric Acid SCHEMBL7389969 0.99 CYP3A4 (0.55) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL7196078 0.98 CYP3A4 (0.54) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL7181197 0.98 CYP3A4 (0.54) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL893460 0.90 CYP3A4 (0.62) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL2954848 0.90 CYP3A4 (0.62) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL16281945 0.89 CYP3A4 (0.59) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL4956629 0.88 CYP3A4 (0.61) CYP3A4MEN1SLC22A2SLC22A1ABCC3
SCHEMBL4961170 0.88 CYP3A4 (0.61) CYP3A4MEN1SLC22A2SLC22A1ABCC3

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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112500367-A Refining method of ritonavir intermediate 盐城迪赛诺制药有限公司 2021-03-16 CN claimed
EP-0997459-B1 Intermediates for preparing retroviral protease inhibiting compounds ABBOTT LAB (US) 2008-11-26 EP claimed
US-6667404-B2 Carbamylation of 1-amino group of 1,4-amino-3-hydroxybutane derivative with an organocarbonate containing thiazolyl, oxazolyl, isoxazolyl or isothiazolyl substituent ABBOTT LABORATORIES 2003-12-23 US claimed
EP-1302468-A1 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2003-04-16 EP claimed
EP-0830353-B1 PROCESS FOR THE PREPARATION OF AN HIV PROTEASE INHIBITING COMPOUND ABBOTT LAB (US) 2002-04-24 EP claimed
EP-1090914-A2 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2001-04-11 EP claimed
US-6150530-A AMIDATION OF AMINE WITH ACID ABBOTT LABORATORIES (US) 2000-11-21 US claimed
EP-0830353-A1 PROCESS FOR THE PREPARATION OF AN HIV PROTEASE INHIBITING COMPOUND Abbott Laboratories (US) 1998-03-25 EP claimed
US-5659045-A AIDS THERAPY ABBOTT LABORATORIES (US) 1997-08-19 US claimed
WO-1996039398-A1 PROCESS FOR THE PREPARATION OF AN HIV PROTEASE INHIBITING COMPOUND ABBOTT LABORATORIES (US) 1996-12-12 WO claimed
US-5567823-A Process for the preparation of an HIV protease inhibiting compound ABBOTT LABORATORIES (US) 1996-10-22 US claimed
US-5565418-A PREPARING CARBAMATE INTERMEDIATES BY REACTING SUBSTITUTED HYDROXYDIAMINE COMPOUND WITH ONE AMINE PROTECTED WITH ACTIVATED ACYLATING AGENT, DEPROTECTING ABBOTT LABORATORIES (US) 1996-10-15 US claimed
EP-0727419-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 1996-08-21 EP claimed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 US claimed
CN-118961932-A Method and system for detecting ritonavir intermediate 武汉海特生物创新医药研究有限公司 2024-11-15 CN disclosed
CN-112592324-A Method for purifying ritonavir intermediate raw material 盐城迪赛诺制药有限公司 2021-04-02 CN disclosed
CN-112500367-A Refining method of ritonavir intermediate 盐城迪赛诺制药有限公司 2021-03-16 CN disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
WO-1994014436-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-07-07 WO disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP disclosed