SCHEMBL2030780

SCHEMBL2030780

N[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.50
AKR1C1 Q04828 1/20 0.50
MAOB P27338 9/20 0.42
MAOA P21397 7/20 0.42
KDM1A O60341 5/20 0.42
CYP2C19 P33261 4/20 0.42
CYP2B6 P20813 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
LMNA P02545 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
HTR2C P28335 2/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2A6 P11509 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42

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
Hydrochloric Acid SCHEMBL81099 0.98 AKR1C3 (0.49) AKR1C3AKR1C1MAOBMAOAKDM1A
SCHEMBL15906232 0.79 AKR1C3 (0.46) AKR1C3AKR1C1CYP2C9LMNACYP3A4
SCHEMBL13718761 0.79 SLC18A3 (0.45) AKR1C3AKR1C1MAOBMAOAKDM1A
SCHEMBL3968243 0.77 AKR1C3 (0.55) AKR1C3AKR1C1MAOBMAOAKDM1A
SCHEMBL3966251 0.77 AKR1C3 (0.55) AKR1C3AKR1C1MAOBMAOAKDM1A
SCHEMBL18584919 0.76 AKR1C3 (0.46) AKR1C3AKR1C1CYP2C9CYP3A4SLC18A3
SCHEMBL14310592 0.76 AKR1C3 (0.42) AKR1C3AKR1C1MAOBKDM1AHTR2C
SCHEMBL14652199 0.76 AKR1C3 (0.42) AKR1C3AKR1C1HTR2CCYP3A4SLC18A3
SCHEMBL26999319 0.74 SLC18A3 (0.56) AKR1C3AKR1C1CYP2D6CYP2C9CYP3A4
SCHEMBL8029809 0.74 SLC18A3 (0.56) AKR1C3AKR1C1CYP2D6CYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633630-B2 Acceleration of Mycobacterium growth ST GEORGE'S HOSPITAL MEDICAL SCHOOL (GB) 2020-04-28 US disclosed
EP-3158053-B1 ACCELERATION OF MYCOBACTERIUM GROWTH ST GEORGES HOSPITAL MEDICAL SCHOOL (GB) 2019-03-13 EP disclosed
US-9707282-B2 Small cationic antimicrobial peptides THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-07-18 US disclosed
US-20170121672-A1 ACCELERATION OF MYCOBACTERIUM GROWTH ST GEORGE'S HOSPITAL MEDICAL SCHOOL (GB) 2017-05-04 US disclosed
US-20150315240-A1 SMALL CATIONIC ANTIMICROBIAL PEPTIDES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-11-05 US disclosed
US-9017656-B2 Small cationic antimicrobial peptides THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-04-28 US disclosed
EP-2061886-B1 Small cationic immunomodulatory peptides UNIV BRITISH COLUMBIA (CA) 2014-05-07 EP disclosed
US-20130266597-A1 Small Cationic Antimicrobial Peptides THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-10-10 US disclosed
US-8343475-B2 Small cationic antimicrobial peptides THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-01-01 US disclosed
US-20110236429-A1 Small Cationic Antimicrobial Peptides THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-09-29 US disclosed
US-20110150917-A1 Small Cationic Antimicrobial Peptides THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-06-23 US disclosed
EP-2061886-A1 SMALL CATIONIC ANTIMICROBIAL PEPTIDES The University of British Columbia (CA) 2009-05-27 EP disclosed
WO-2008151434-A1 SMALL CATIONIC ANTIMICROBIAL PEPTIDES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2008-12-18 WO disclosed
WO-2008022444-A1 SMALL CATIONIC ANTIMICROBIAL PEPTIDES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2008-02-28 WO disclosed