SCHEMBL31249904

SCHEMBL31249904

CC(CN(C)CCCN)OCCN1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.35
PSMB1 P20618 1/20 0.32
PSMB5 P28074 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SIGMAR1 Q99720 3/20 0.32
CHRNA7 P36544 1/20 0.32
SLC6A4 P31645 1/20 0.31
CHRM2 P08172 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL31249929 0.99 HRH3 (0.36) HRH3PSMB1PSMB5CHRNA7SLC6A4
SCHEMBL31249880 0.91 HRH3 (0.36) HRH3PSMB1PSMB5SIGMAR1CHRNA7
SCHEMBL31249863 0.90 HRH3 (0.38) HRH3PSMB1PSMB5SIGMAR1CHRNA7
SCHEMBL31249946 0.87 LTA4H (0.39) HRH3PSMB1PSMB5MEN1KMT2A
SCHEMBL31249870 0.86 LTA4H (0.38) HRH3PSMB1PSMB5CHRNA7SLC6A4
SCHEMBL31249944 0.84 HRH3 (0.37) HRH3PSMB1PSMB5SIGMAR1CHRNA7
SCHEMBL31249916 0.82 HRH3 (0.39) HRH3PSMB1PSMB5CHRNA7SLC6A4
SCHEMBL31249877 0.80 ALDH1A1 (0.37) HRH3PSMB1PSMB5MEN1KMT2A
SCHEMBL31249920 0.80 PSMB1 (0.39) HRH3PSMB1PSMB5MEN1KMT2A
SCHEMBL31249889 0.80 PSMB1 (0.39) HRH3PSMB1PSMB5MEN1KMT2A

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