SCHEMBL8309993

SCHEMBL8309993

OCCNCCCN1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
PAOX Q6QHF9 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
KDM1A O60341 1/20 0.40
SIGMAR1 Q99720 1/20 0.38
MAPT P10636 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8309176 0.98 HRH3 (0.50) SCN5AHRH3SMN1; SMN2LMNACARM1
SCHEMBL18024011 0.91 SCN5A (0.46) SCN5AHRH3SMN1; SMN2LMNACARM1
SCHEMBL18024053 0.89 HRH3 (0.50) SCN5AHRH3SMN1; SMN2LMNACARM1
SCHEMBL5910693 0.89 HRH3 (0.57) SCN5AHRH3SMN1; SMN2LMNACARM1
SCHEMBL11369038 0.87 ACE2 (0.45) SCN5AHRH3SMN1; SMN2LMNAMAPK1
SCHEMBL8306450 0.86 CARM1 (0.50) HRH3CARM1PRMT6PRMT8ACE2
SCHEMBL17526224 0.86 HRH3 (0.55) SCN5AHRH3SMN1; SMN2LMNACARM1
SCHEMBL5911217 0.86 HRH3 (0.62) SCN5AHRH3SMN1; SMN2LMNACARM1
SCHEMBL17526233 0.86 HRH3 (0.55) SCN5AHRH3SMN1; SMN2LMNACARM1
SCHEMBL8307333 0.84 CARM1 (0.48) HRH3LMNACARM1PRMT6PRMT8

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 11 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-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