SCHEMBL7364322

SCHEMBL7364322

CCOc1ccc(CC(N)CO)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.52
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ACACB O00763 8/20 0.47
PARP10 Q53GL7 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
LTA4H P09960 1/20 0.45
ADRA2A P08913 1/20 0.44

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
SCHEMBL7364325 1.00 NQO1 (0.52) NQO1TSHRTDP1ACACBPARP10
SCHEMBL28108926 1.00 NQO1 (0.52) NQO1TSHRTDP1ACACBPARP10
SCHEMBL8775467 0.86 LMNA (0.53) ACACBLTA4H
SCHEMBL12814560 0.86 LMNA (0.53) ACACBLTA4H
SCHEMBL10084807 0.86 ACACB (0.48) ACACBLTA4H
SCHEMBL8246139 0.86 ACACB (0.48) ACACBLTA4H
SCHEMBL27268878 0.85 ACACB (0.51) ACACBLTA4H
Hydrochloric Acid SCHEMBL27166325 0.84 ACACB (0.50) ACACBLTA4H
SCHEMBL27166249 0.84 ACACB (0.50) ACACBLTA4H
SCHEMBL27166321 0.84 ACACB (0.50) ACACBLTA4H

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458866-A Aminocarbonyl carbamate compound 爱思开生物制药株式会社 2017-02-22 CN claimed
EP-4584251-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING Bayer Aktiengesellschaft (DE) 2025-07-16 EP disclosed
WO-2024052549-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO disclosed
EP-4335840-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING Bayer Aktiengesellschaft (DE) 2024-03-13 EP disclosed
CN-106458866-A Aminocarbonyl carbamate compound 爱思开生物制药株式会社 2017-02-22 CN disclosed
US-5885548-A Multiply substituted DTPA derivatives and their metal complexes, and their metal complexes, pharmaceutical agents that contain these complexes, their use in diagnosis and therapy, as well as process for the production of pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
US-5853699-A Use of tetra azacycle complexes as x-ray diagnostic agents for the liver and gallbladder SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-29 US disclosed
WO-1997046553-A1 THROMBIN INHIBITORS NOVARTIS AG (CH) 1997-12-11 WO disclosed
EP-0794939-A1 NOVEL MULTIPLE-SUBSTITUENT DTPA DERIVATIVES AND METAL COMPLEXES THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPLEXES, THEIR USE IN DIAGNOSIS AND THERAPY, METHODS OF PREPARING THE COMPLEXING AGENTS AND COMPLEXES AND METHODS OF PREPARING THE PHARMACEUTICAL COMPOSITIONS SCHERING AKTIENGESELLSCHAFT (DE) 1997-09-17 EP disclosed
EP-0794799-A2 USE OF METAL COMPLEXES AS LIVER AND GALL BLADDER RADIODIAGNOSIS AGENTS IN COMPUTER TOMOGRAPHY SCHERING AKTIENGESELLSCHAFT (DE) 1997-09-17 EP disclosed
WO-1996016677-A2 USE OF METAL COMPLEXES AS LIVER AND GALL BLADDER RADIODIAGNOSIS AGENTS IN COMPUTER TOMOGRAPHY SCHERING AKTIENGESELLSCHAFT (DE) 1996-06-06 WO disclosed
WO-1996016929-A1 NOVEL MULTIPLE-SUBSTITUENT DTPA DERIVATIVES AND METAL COMPLEXES THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPLEXES, THEIR USE IN DIAGNOSIS AND THERAPY, METHODS OF PREPARING THE COMPLEXING AGENTS AND COMPLEXES AND METHODS OF PREPARING THE PHARMACEUTICAL COMPOSITIONS SCHERING AKTIENGESELLSCHAFT (DE) 1996-06-06 WO disclosed