SCHEMBL3790699

SCHEMBL3790699

CCCCOC(=O)OC(=O)[C@@H]1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.47
TLR2 O60603 2/20 0.43
DPP7 Q9UHL4 1/20 0.42
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.35
NAAA Q02083 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL8135988 1.00 PRCP (0.47) PRCPTLR2DPP7ALDH1A1ATM
SCHEMBL5280177 0.92 PRCP (0.43) PRCPTLR2DPP7ALDH1A1ATM
SCHEMBL8257937 0.88 PRCP (0.51) PRCPTLR2DPP7ALDH1A1ATM
SCHEMBL2638667 0.88 PRCP (0.51) PRCPTLR2DPP7ALDH1A1ATM
SCHEMBL2713588 0.88 PRCP (0.51) PRCPTLR2DPP7ALDH1A1ATM
Hydrochloric Acid SCHEMBL7370055 0.86 PRCP (0.50) PRCPTLR2DPP7ALDH1A1ATM
Hydrochloric Acid SCHEMBL7366846 0.86 PRCP (0.50) PRCPTLR2DPP7ALDH1A1ATM
SCHEMBL25413989 0.84 SOAT1 (0.45) PRCPTLR2DPP7ALDH1A1DPP4
SCHEMBL16774368 0.84 SOAT1 (0.45) PRCPTLR2DPP7ALDH1A1DPP4
SCHEMBL629326 0.83 PRCP (0.54) PRCPTLR2DPP7NAAA

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
EP-3265448-A1 RILUZOLE PRODRUGS AND THEIR USE Biohaven Pharmaceutical Holding Company Ltd. (US) 2018-01-10 EP disclosed
WO-2016140879-A9 RILUZOLE PRODRUGS AND THEIR USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2016-11-03 WO disclosed
WO-2016140878-A9 PRODRUGS RILUZOLE AND THEIR METHOD OF USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2016-10-20 WO disclosed
CN-104844687-A Alkylamine-substituted dicyanopyridine and amino acid ester prodrugs thereof BAYER IP GMBH 2015-08-19 CN disclosed
EP-2640719-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2013-09-25 EP disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 WO disclosed
EP-2398474-A1 INHIBITORS OF HCV NS5A Presidio Pharmaceuticals, Inc. (US) 2011-12-28 EP disclosed
WO-2010096777-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-08-26 WO disclosed
WO-2007084314-A2 MODULATORS OF 11-ß HYDROXYL STEROID DEHYDROGENASE TYPE 1, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2007-07-26 WO disclosed
EP-0873519-A4 HIV PROTEASE INHIBITORS SCRIPPS RESEARCH INST (US) 2005-04-27 EP disclosed
WO-2000001714-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-01-13 WO disclosed
EP-0873519-A1 HIV PROTEASE INHIBITORS The Scripps Research Institute (US) 1998-10-28 EP disclosed
WO-1997021100-A9 HIV PROTEASE INHIBITORS 1997-10-30 WO disclosed
WO-1997021100-A1 HIV PROTEASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 1997-06-12 WO disclosed
US-4965283-A Anticonvillsants, antiepileptic agents DR. WILLMAR SCHWABE GMBH & CO. (DE) 1990-10-23 US disclosed
US-3971737-A [2-Methyl-Ala6 ]LRH AMERICAN HOME PRODUCTS CORPORATION (US) 1976-07-27 US disclosed
US-3947575-A Peptides as argiotensin converting enzyme inhibitors E. R. SQUIBB & SONS, INC. (US) 1976-03-30 US disclosed