SCHEMBL31249946

SCHEMBL31249946

CCCCN(C)CC(C)OCCN1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
HRH3 Q9Y5N1 4/20 0.35
ALDH1A1 P00352 1/20 0.34
PSMB1 P20618 1/20 0.33
PSMB5 P28074 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
CHRNA7 P36544 1/20 0.32
SLC6A4 P31645 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL31249870 0.99 LTA4H (0.38) LTA4HHRH3ALDH1A1PSMB1PSMB5
SCHEMBL31249944 0.91 HRH3 (0.37) LTA4HHRH3ALDH1A1PSMB1PSMB5
SCHEMBL31249916 0.90 HRH3 (0.39) LTA4HHRH3ALDH1A1PSMB1PSMB5
SCHEMBL31249904 0.87 HRH3 (0.35) HRH3ALDH1A1PSMB1PSMB5MEN1
SCHEMBL31249929 0.86 HRH3 (0.36) HRH3PSMB1PSMB5CHRNA7SLC6A4
SCHEMBL31249877 0.84 ALDH1A1 (0.37) LTA4HHRH3ALDH1A1PSMB1PSMB5
SCHEMBL31249880 0.84 HRH3 (0.36) HRH3ALDH1A1PSMB1PSMB5SIGMAR1
SCHEMBL31249947 0.83 PSMB1 (0.38) HRH3ALDH1A1PSMB1PSMB5CHRNA7
SCHEMBL31249863 0.82 HRH3 (0.38) HRH3ALDH1A1PSMB1PSMB5SIGMAR1
SCHEMBL31249889 0.81 PSMB1 (0.39) HRH3ALDH1A1PSMB1PSMB5MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720149-A1 AMINE CATALYSTS FOR POLYURETHANE APPLICATIONS Evonik Operations GmbH (DE) 2026-04-08 EP claimed
WO-2024245991-A1 AMINE CATALYSTS FOR POLYURETHANE APPLICATIONS EVONIK OPERATIONS GMBH (DE) 2024-12-05 WO claimed
EP-4720149-A1 AMINE CATALYSTS FOR POLYURETHANE APPLICATIONS Evonik Operations GmbH (DE) 2026-04-08 EP disclosed
WO-2024245991-A1 AMINE CATALYSTS FOR POLYURETHANE APPLICATIONS EVONIK OPERATIONS GMBH (DE) 2024-12-05 WO disclosed