SCHEMBL898147

SCHEMBL898147

COc1ccccc1N1CCN(CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.79
HTR1A P08908 2/20 0.79
CYP3A4 P08684 1/20 0.79
ADRA1A P35348 1/20 0.79
MEN1 O00255 1/20 0.78
ALDH1A1 P00352 1/20 0.78
BLM P54132 1/20 0.78
PMP22 Q01453 1/20 0.78
KMT2A Q03164 1/20 0.78
TSHR P16473 1/20 0.78
CYP2C19 P33261 1/20 0.78
MTOR P42345 1/20 0.78
RAB9A P51151 1/20 0.78
HIF1A Q16665 1/20 0.78
DRD4 P21917 1/20 0.73

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
SCHEMBL8011055 0.89 CYP2D6 (0.88) CYP2D6HTR1ACYP3A4ADRA1AMEN1
SCHEMBL29786717 0.89 ADRA1A (1.00) CYP2D6HTR1ACYP3A4ADRA1AMEN1
SCHEMBL19568202 0.89 CYP2D6 (0.86) CYP2D6HTR1ACYP3A4ADRA1AMEN1
SCHEMBL18211393 0.89 HTR1A (0.86) CYP2D6HTR1ACYP3A4ADRA1AMEN1
SCHEMBL4014204 0.89 ADRA1A (1.00) CYP2D6HTR1ACYP3A4ADRA1AMEN1
SCHEMBL29387395 0.88 CYP2D6 (1.00) CYP2D6HTR1ACYP3A4ADRA1AMEN1
SCHEMBL2640211 0.88 CYP2D6 (1.00) CYP2D6HTR1ACYP3A4ADRA1AMEN1
Hydrochloric Acid SCHEMBL7041045 0.87 CYP2D6 (0.98) CYP2D6HTR1ACYP3A4ADRA1AMEN1
SCHEMBL27775854 0.85 HTR1A (0.61) CYP2D6HTR1ACYP3A4ADRA1AMEN1
SCHEMBL13314093 0.80 HTR1A (0.75) CYP2D6HTR1ACYP3A4ADRA1AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080281090-A1 Microfluidic Chemical Reaction Circuits CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-11-13 US claimed
US-9556081-B2 Device and method for the production of radiochemical compounds ABX ADVANCED BIOCHEMICAL COMPOUNDS GMBH (DE) 2017-01-31 US disclosed
US-20160115092-A1 DEVICE AND METHOD FOR THE PRODUCTION OF RADIOCHEMICAL COMPOUNDS ABX ADVANCED BIOCHEMICAL COMPOUNDS GMBH (DE) 2016-04-28 US disclosed
US-9260354-B2 Device and method for the production of radiochemical compounds ABX ADVANCED CHEMICAL COMPOUNDS GMBH (DE) 2016-02-16 US disclosed
US-20150133650-A1 DEVICE AND METHOD FOR THE PRODUCTION OF RADIOCHEMICAL COMPOUNDS GESIM-GESELLSCHAFT FUER SILIZIUM-MIKROSYSTEME MBH (DE) 2015-05-14 US disclosed
US-8980184-B2 Device and method for the preparation of radiochemical compounds ABX ADVANCED BIOCHEMICAL COMPOUNDS GMBH (DE) 2015-03-17 US disclosed
US-20130144051-A1 Device And Method For The Preparation Of Radiochemical Compounds GESIM-GESELLSCHAFT FUER SILIZIUM-MIKROSYSTEME MBH (DE) 2013-06-06 US disclosed
EP-2585211-A2 DEVICE AND METHOD FOR THE PRODUCTION OF RADIOCHEMICAL COMPOUNDS ABX Advanced Biochemical Compounds GmbH (DE) 2013-05-01 EP disclosed
US-8206593-B2 Adapted for on-chip solvent exchange; synthesis of radiopharmaceuticals such as FDG (fludeoxyglucose F18) for example FLUIDIGM CORPORATION (US) 2012-06-26 US disclosed
WO-2012041305-A2 DEVICE AND METHOD FOR THE PRODUCTION OF RADIOCHEMICAL COMPOUNDS ABX ADVANCED BIOCHEMICAL COMPOUNDS GMBH (DE) 2012-04-05 WO disclosed
US-20080281090-A1 Microfluidic Chemical Reaction Circuits CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-11-13 US disclosed
EP-1838431-A2 MICROFLUIDIC DEVICES WITH CHEMICAL REACTION CIRCUITS California Institute of Technology (US) 2007-10-03 EP disclosed
WO-2006071470-A2 MICROFLUIDIC DEVICES WITH CHEMICAL REACTION CIRCUITS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-07-06 WO disclosed
EP-1667794-A2 SYSTEM AND METHOD FOR SYNTHESIS OF MOLECULAR IMAGING PROBES INCLUDING FDG Molecular Technologies Inc. (US) 2006-06-14 EP disclosed
US-20050232387-A1 Microfluidic apparatus and method for synthesis of molecular imaging probes MOLECULAR TECHNOLOGIES, INC. 2005-10-20 US disclosed
US-20050232861-A1 Microfluidic apparatus and method for synthesis of molecular imaging probes including FDG MOLECULAR TECHNOLOGIES 2005-10-20 US disclosed
US-20040258615-A1 System and method for synthesis of molecular imaging probes including FDG MOLECULAR TECHNOLOGIES, INC. 2004-12-23 US disclosed
WO-2004093652-A2 SYSTEM AND METHOD FOR SYNTHESIS OF MOLECULAR IMAGING PROBES INCLUDING FDG MOLECULAR TECHNOLOGIES, INC. (US) 2004-11-04 WO disclosed