SCHEMBL17495643

SCHEMBL17495643

OCCN(CCO)CCCN1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.46
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL25477672 1.00 HRH3 (0.46) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL2844514 0.98 HRH3 (0.50) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL7106726 0.89 HRH3 (0.50) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL5910757 0.89 HRH3 (0.57) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL11199088 0.86 HRH3 (0.39) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL17539388 0.86 HRH3 (0.39) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL17526234 0.86 HRH3 (0.55) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL5910804 0.86 HRH3 (0.62) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL17526231 0.86 HRH3 (0.55) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL2842787 0.84 HRH3 (0.42) HRH3CYP1A2MAPK1SMN1; SMN2MAPT

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 9 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-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