SCHEMBL8306450

SCHEMBL8306450

OCCNCCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
PRMT8 Q9NR22 1/20 0.50
SIGMAR1 Q99720 3/20 0.48
ACE2 Q9BYF1 1/20 0.48
DPP7 Q9UHL4 2/20 0.46
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
HRH3 Q9Y5N1 1/20 0.39
KDM1A O60341 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL8307333 0.98 CARM1 (0.48) CARM1PRMT6PRMT8SIGMAR1ACE2
SCHEMBL17528479 0.98 CARM1 (0.48) CARM1PRMT6PRMT8SIGMAR1ACE2
SCHEMBL21922782 0.90 ACE2 (0.58) CARM1PRMT6PRMT8SIGMAR1ACE2
SCHEMBL16078965 0.88 ACE2 (0.56) CARM1PRMT6PRMT8SIGMAR1ACE2
SCHEMBL10410535 0.87 CARM1 (0.62) CARM1PRMT6PRMT8SIGMAR1ACE2
SCHEMBL17528541 0.87 SIGMAR1 (0.40) CARM1PRMT6PRMT8SIGMAR1ACE2
SCHEMBL17528492 0.87 SIGMAR1 (0.40) CARM1PRMT6PRMT8SIGMAR1ACE2
SCHEMBL17528539 0.87 SIGMAR1 (0.40) CARM1PRMT6PRMT8SIGMAR1ACE2
SCHEMBL8309993 0.86 SCN5A (0.46) CARM1PRMT6PRMT8SIGMAR1ACE2
SCHEMBL8310201 0.86 ACE2 (0.50) CARM1PRMT6PRMT8SIGMAR1ACE2

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
US-20170174817-A1 NITROGEN-CONTAINING COMPOUNDS SUITABLE FOR USE IN THE PRODUCTION OF POLYURETHANES EVONIK OPERATIONS GMBH (DE) 2017-06-22 US claimed
EP-3177660-A1 NITROGEN-CONTAINING COMPOUNDS SUITABLE FOR USE IN THE PRODUCTION OF POLYURETHANES Evonik Degussa GmbH (DE) 2017-06-14 EP claimed
WO-2016020138-A1 NITROGEN-CONTAINING COMPOUNDS SUITABLE FOR USE IN THE PRODUCTION OF POLYURETHANES EVONIK DEGUSSA GMBH (DE) 2016-02-11 WO claimed
US-20230149910-A1 CATALYST COMPOSITION MOMENTIVE PERFORMANCE MATERIALS INC. 2023-05-18 US disclosed
US-10703851-B2 Nitrogen-containing compounds suitable for use in the production of polyurethanes EVONIK OPERATIONS GMBH (DE) 2020-07-07 US disclosed
US-20170174817-A1 NITROGEN-CONTAINING COMPOUNDS SUITABLE FOR USE IN THE PRODUCTION OF POLYURETHANES EVONIK OPERATIONS GMBH (DE) 2017-06-22 US disclosed
EP-3177660-A1 NITROGEN-CONTAINING COMPOUNDS SUITABLE FOR USE IN THE PRODUCTION OF POLYURETHANES Evonik Degussa GmbH (DE) 2017-06-14 EP disclosed
WO-2016130968-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR YALE UNIVERSITY (US) 2016-08-18 WO disclosed
WO-2016020201-A1 NITROGEN-CONTAINING COMPOUNDS SUITABLE FOR USE IN THE PRODUCTION OF POLYURETHANES EVONIK DEGUSSA GMBH (DE) 2016-02-11 WO disclosed
WO-2016020137-A1 NITROGEN-CONTAINING COMPOUNDS SUITABLE FOR USE IN THE PRODUCTION OF POLYURETHANES EVONIK DEGUSSA GMBH (DE) 2016-02-11 WO disclosed
WO-2016020138-A1 NITROGEN-CONTAINING COMPOUNDS SUITABLE FOR USE IN THE PRODUCTION OF POLYURETHANES EVONIK DEGUSSA GMBH (DE) 2016-02-11 WO disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed