SCHEMBL7179488

SCHEMBL7179488

COC(=O)[C@@H](NC(=O)N(Cc1csc(C(C)C)n1)CC(C)C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 18/20 0.46
CYP2D6 P10635 6/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2C9 P11712 4/20 0.43
CYP1A2 P05177 2/20 0.41
BCHE P06276 2/20 0.40

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
SCHEMBL7179894 0.90 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL7181663 0.89 CYP3A4 (0.43) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL7379155 0.88 CYP3A4 (0.41) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL7180377 0.88 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL3365141 0.86 CYP3A4 (0.44) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL13535182 0.86 CYP3A4 (0.44) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL2736207 0.85 CYP3A4 (0.59) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL18531996 0.85 CYP3A4 (0.59) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL2736193 0.81 CYP3A4 (0.54) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL13535179 0.80 CYP3A4 (0.44) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 disclosed
EP-1302468-A1 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2003-04-16 EP disclosed
EP-1090914-A2 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2001-04-11 EP disclosed
US-6150530-A AMIDATION OF AMINE WITH ACID ABBOTT LABORATORIES (US) 2000-11-21 US disclosed
US-6017928-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2000-01-25 US disclosed
US-5892052-A Process for making retroviral protease inhibiting compounds ABBOTT LABORTORIES (US) 1999-04-06 US disclosed
US-5886036-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1999-03-23 US disclosed
US-5846987-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1998-12-08 US disclosed
US-5696270-A Intermediate for making retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-12-09 US disclosed
US-5679797-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-10-21 US disclosed
US-5591860-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-07 US disclosed
US-5583232-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS ABBOTT LABORATORIES (US) 1996-12-10 US disclosed
US-5583233-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS ABBOTT LABORATORIES (US) 1996-12-10 US disclosed
US-5580984-A 1-OXA-3-AZA-2-BORINE INTERMEDIATES ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
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 disclosed
EP-0674513-B1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 1996-09-25 EP disclosed
US-5552558-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1996-09-03 US disclosed
EP-0727419-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 1996-08-21 EP disclosed
US-5541206-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTION ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
US-5539122-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1996-07-23 US disclosed