SCHEMBL996631

SCHEMBL996631

CN([C]=O)CCc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
TSHR P16473 3/20 0.51
POLB P06746 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.49
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RECQL P46063 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
HRH1 P35367 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD11B1 P28845 1/20 0.47

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
SCHEMBL3666709 0.82 TDP1 (0.53) KDM4ETSHRPOLBNPSR1TDP1
SCHEMBL7414349 0.80 KDM4E (0.56) KDM4ETSHRPOLBNPSR1TDP1
SCHEMBL31059180 0.80 KDM4E (0.68) KDM4ETSHRPOLBNPSR1TDP1
SCHEMBL30086100 0.80 KDM4E (0.58) KDM4ETSHRPOLBNPSR1TDP1
SCHEMBL12819456 0.80 KDM4E (0.68) KDM4ETSHRPOLBNPSR1TDP1
SCHEMBL229256 0.80 KDM4E (0.58) KDM4ETSHRPOLBNPSR1TDP1
SCHEMBL31059181 0.80 KDM4E (0.68) KDM4ETSHRPOLBNPSR1TDP1
SCHEMBL10501002 0.79 HRH1 (0.52) KDM4ETSHRPOLBNPSR1TDP1
Hydrochloric Acid SCHEMBL29367467 0.78 KDM4E (0.57) KDM4ETSHRPOLBNPSR1TDP1
SCHEMBL9082173 0.77 KDM4E (0.55) KDM4ETSHRPOLBNPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362909-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2011-09-07 EP disclosed
WO-2011008230-A2 RAPAMYCIN DERIVATIVES AND ETHERS OF N-PROPANOLAMINES AND USES RELATED TO INFECTION Zirus, Inc. (US) 2011-01-20 WO disclosed
WO-2010039778-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2010-04-08 WO disclosed
US-6200985-B1 ADMINISTERING TO PREVENT ORGAN OR TISSUE TRANSPLANT REJECTION NOVARTIS AG (CH) 2001-03-13 US disclosed
EP-0734389-B1 RAPAMYCIN DERIVATIVES USEFUL AS IMMUNOSUPPRESSANTS NOVARTIS AG (CH) 2000-03-29 EP disclosed
US-5985890-A Rapamycin derivatives NOVARTIS AG (CH) 1999-11-16 US disclosed
US-5912253-A 16-DEMETHOXY DERIVATIVES HAVING GREATER STABILITY AND BIOAVAILABILITY; FOR USE AS IMMUNOSUPPRESSANTS NOVARTIS AG (CH) 1999-06-15 US disclosed
EP-0833828-A1 RAPAMYCIN DERIVATIVES Novartis AG (CH) 1998-04-08 EP disclosed
WO-1996041807-A1 RAPAMYCIN DERIVATIVES NOVARTIS AG (CH) 1996-12-27 WO disclosed
EP-0734389-A1 RAPAMYCIN DERIVATIVES USEFUL AS IMMUNOSUPPRESSANTS Novartis AG (CH) 1996-10-02 EP disclosed
WO-1994025062-A1 ORAL PHARMACEUTICAL COMPOSITIONS CONTAINING RENIN INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-10 WO disclosed
EP-0300189-B1 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-11-02 EP disclosed
EP-0617622-A1 USE OF RENIN INHIBITORS FOR THE TREATMENT OF GLAUCOMA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-05 EP disclosed
EP-0573652-A1 REMEDY FOR RENAL DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-12-15 EP disclosed
WO-1993012796-A1 USE OF RENIN INHIBITORS FOR THE TREATMENT OF GLAUCOMA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-08 WO disclosed
US-5223489-A Treatment of ypertension and heart failure UJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-29 US disclosed
US-5142048-A Enzyme inhibitor; carbamoyl group-containing acids FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-08-25 US disclosed
US-5063208-A Cardiovascular disorders, vision defects ABBOTT LABORATORIES (US) 1991-11-05 US disclosed
US-4921855-A New Histidyl amino acid derivatives, and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-01 US disclosed
EP-0300189-A2 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-25 EP disclosed