Fasidotril

Fasidotril

SCHEMBL49006

CC(=O)SC[C@@H](Cc1ccc2c(c1)OCO2)C(=O)N[C@@H](C)C(=O)OCc1ccccc1

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.88
HRH4 Q9H3N8 1/20 0.75
CYP3A4 P08684 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ABCC3 O15438 1/20 0.52
NR1I2 O75469 1/20 0.52
ABCB11 O95342 1/20 0.52
NR3C1 P04150 1/20 0.52
RARG P13631 1/20 0.52
CNR1 P21554 1/20 0.52
OPRK1 P41145 1/20 0.52
NR1H2 P55055 1/20 0.52
PPARA Q07869 1/20 0.52
NR1H3 Q13133 1/20 0.52
NR1I3 Q14994 1/20 0.52
RAB9A P51151 3/20 0.45
TSHR P16473 2/20 0.45

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
Fasidotril SCHEMBL7301419 1.00 ACE (0.88) ACEHRH4CYP3A4CYP1A2CYP2D6
Fasidotrilat SCHEMBL29595981 0.94 ACE (1.00) ACEHRH4CYP3A4CYP1A2CYP2D6
SCHEMBL3081031 0.86 ACE (0.66) ACEHRH4CYP2D6TSHRALDH1A1
SCHEMBL3081041 0.86 ACE (0.66) ACEHRH4CYP2D6TSHRALDH1A1
SCHEMBL3081033 0.86 ACE (0.66) ACEHRH4CYP2D6TSHRALDH1A1
SCHEMBL8297852 0.83 ACE (0.61) ACEHRH4CYP3A4CYP1A2CYP2D6
SCHEMBL5913510 0.78 HRH4 (0.62) ACEHRH4CYP3A4CYP1A2CYP2D6
SCHEMBL5913277 0.78 HRH4 (0.62) ACEHRH4CYP3A4CYP1A2CYP2D6
SCHEMBL8691873 0.78 HRH4 (0.62) ACEHRH4CYP3A4CYP1A2CYP2D6
SCHEMBL8167846 0.77 CYP1A2 (0.61) ACECYP3A4CYP1A2CYP2D6CYP2C9

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

Appears in 3706 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022265697-A1 COMPOSITIONS FOR TREATING VIRAL INFECTIONS AND METHODS FOR SAME Tiger Development, LLC (US) 2022-12-22 WO claimed
US-20220370360-A1 COMPOSITIONS FOR TREATING VIRAL INFECTIONS AND METHODS FOR SAME ACCESS TO ADVANCED HEALTH INSTITUTE 2022-11-24 US claimed
US-20210401751-A1 COMPOSITIONS FOR TREATING VIRAL INFECTIONS AND METHODS FOR SAME Tiger Development Inc. (US) 2021-12-30 US claimed
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors INTRA-CELLULAR THERAPIES, INC. (US) 2021-11-09 US claimed
US-20190275046-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. (US) 2019-09-12 US claimed
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods INTRA-CELLULAR THERAPIES, INC. (US) 2019-05-14 US claimed
EP-2661431-B1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2018-07-11 EP claimed
US-20180118773-A1 CRYSTALLINE FORM OF BENZYLBENZENE SGLT2 INHIBITOR THERACOSBIO, LLC 2018-05-03 US claimed
EP-2150526-B1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE VTV THERAPEUTICS LLC (US) 2017-09-20 EP claimed
CN-106466481-A Sartans and NEPi complex 叶莉 2017-03-01 CN claimed
US-20040192584-A1 Combination of an aldosterone receptor antagonist and a neutral endopeptidase inhibitor PHARMACIA CORPORATION 2004-09-30 US claimed
EP-1413315-A1 SUSTAINED-RELEASE MEDICINES Takeda Chemical Industries, Ltd. (JP) 2004-04-28 EP claimed
EP-1397160-A1 PHARMACEUTICAL COMPOSITION INCLUDING ACE/NEP INHIBITORS AND BIOAVAILABILITY ENHANCERS Shire Laboratories Inc. (US) 2004-03-17 EP claimed
WO-2003091207-A2 METHOD OF PREPARING AMINE STEREOISOMERS APSINTERM, LLC. (US) 2003-11-06 WO claimed
US-20030096761-A1 Pharmaceutical compositions including ACE/NEP inhibitors and bioavailability enhancers SHIRE BIOCHEM INC. (CA) 2003-05-22 US claimed
WO-2002087621-A1 PHARMACEUTICAL COMPOSITION INCLUDING ACE/NEP INHIBITORS AND BIOAVAILABILITY ENHANCERS SHIRE LABORATORIES INC. (US) 2002-11-07 WO claimed
US-20020055645-A1 Process for synthesizing N-(mercaptoacyl) amino acid derivatives from alpha-substituted acrylic acids BIOPROJET (FR) 2002-05-09 US claimed
CN-1310623-A Biological implant formulation PEPTECH LTD (AU) 2001-08-29 CN claimed
EP-1104296-A1 BIOIMPLANT FORMULATION PEPTECH LIMITED (AU) 2001-06-06 EP claimed
WO-2000004897-A1 BIOIMPLANT FORMULATION PEPTECH LIMITED (AU) 2000-02-03 WO claimed