SCHEMBL18506889

SCHEMBL18506889

CCCN(C)CCNC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
MTNR1A P48039 8/20 0.43
MTNR1B P49286 8/20 0.43
TSHR P16473 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
DNM1 Q05193 1/20 0.39
ADRA1A P35348 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL13407441 0.91 KDM4E (0.52) PAOXKDM4EMAPK1HIF1AMTNR1A
SCHEMBL15146684 0.84 KDM4E (0.46) PAOXKDM4EMAPK1HIF1AMTNR1A
SCHEMBL19426004 0.84 DNM1 (0.50) PAOXKDM4EMAPK1HIF1AKDM5A
SCHEMBL17393151 0.83 KDM4E (0.44) PAOXKDM4EMAPK1HIF1AMTNR1A
SCHEMBL9547380 0.83 KDM4E (0.44) PAOXKDM4EMAPK1HIF1AMTNR1A
SCHEMBL12265757 0.83 KDM4E (0.44) PAOXKDM4EMAPK1HIF1AMTNR1A
SCHEMBL15473842 0.82 ALDH1A1 (0.43) PAOXKDM4EMAPK1HIF1AMTNR1A
SCHEMBL8927622 0.81 PAOX (0.50) PAOXKDM4EMAPK1HIF1AMTNR1A
SCHEMBL16317805 0.80 PAOX (0.47) PAOXKDM4EMAPK1HIF1AMTNR1A
SCHEMBL25817395 0.79 KDM4E (0.58) PAOXKDM4EMAPK1HIF1AMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4173485-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-03 EP disclosed
EP-2881394-B1 CONDENSED RING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed
EP-3130592-A1 ANALOGUES OF 4H-PYRAZOLO[1,5- ]BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2017-02-15 EP disclosed