SCHEMBL1808210

SCHEMBL1808210

O=C(O)CNCC1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.53
GABRB2 P47870 3/20 0.53
SLC6A1 P30531 2/20 0.53
SLC6A12 P48065 2/20 0.53
SLC6A11 P48066 2/20 0.53
SLC6A13 Q9NSD5 2/20 0.53
GABRA1 P14867 2/20 0.53
GABRA4 P48169 2/20 0.53
GABRR1 P24046 1/20 0.53
ALOX15 P16050 2/20 0.47
TSHR P16473 2/20 0.47
ANPEP P15144 1/20 0.46
ERAP2 Q6P179 1/20 0.46
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
EPHX1 P07099 3/20 0.42
EPHX2 P34913 1/20 0.42
ITGB3 P05106 5/20 0.42
ITGA2B P08514 5/20 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 SCHEMBL6313491 0.86 SLC6A1 (0.63) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL524625 0.84
SCHEMBL31688522 0.84 SLC6A1 (0.50) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL30478821 0.82 TDP1 (0.44) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL22043849 0.81 TDP1 (0.40) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL8165369 0.80 CYP2D6 (0.47) EPHX1EPHX2
SCHEMBL29952972 0.80 ADH1B (0.46) EPHX1EPHX2
SCHEMBL21987001 0.79 GNAI3 (0.55) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL157039 0.78 EPHX1 (0.50) EPHX1EPHX2
SCHEMBL44579 0.78 GABRA5 (0.75) GABRA5GABRB2SLC6A1SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703216-B1 Amidinophenol derivatives as protease inhibitors ONO PHARMACEUTICAL CO (JP) 1999-04-07 EP claimed
EP-3515897-B1 PIPERAZINE CARBAMATES AS MODULATORS OF MAGL AND/OR ABHD6 AND THEIR USE H LUNDBECK AS (DK) 2021-08-18 EP disclosed
WO-2020154683-A1 METHODS OF TREATING DISEASE WITH MAGL INHIBITORS LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2020-07-30 WO disclosed
EP-2699546-B1 GAS CAPTURE PROCESS COMMONWEALTH SCIENT & INDUSTRIAL RESEARCH ORGANISATION (AU) 2019-06-26 EP disclosed
WO-2018053447-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2018-03-22 WO disclosed
US-9409122-B2 Gas capture process COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-08-09 US disclosed
US-20140127103-A1 GAS CAPTURE PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2014-05-08 US disclosed
US-20130109581-A1 POSITIVELY CHARGED SPECIES AS BINDING REAGENTS IN THE SEPARATION OF PROTEIN AGGREGATES FROM MONOMERS NOVARTIS AG (CH) 2013-05-02 US disclosed
EP-2496947-A1 POSITIVELY CHARGED SPECIES AS BINDING REAGENTS IN THE SEPARATION OF PROTEIN AGGREGATES FROM MONOMERS Novartis AG (CH) 2012-09-12 EP disclosed
WO-2011057029-A1 POSITIVELY CHARGED SPECIES AS BINDING REAGENTS IN THE SEPARATION OF PROTEIN AGGREGATES FROM MONOMERS NOVARTIS AG (CH) 2011-05-12 WO disclosed