SCHEMBL31249944

SCHEMBL31249944

CCCN(C)CC(C)OCCN1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.37
ALDH1A1 P00352 1/20 0.35
LTA4H P09960 1/20 0.35
PSMB1 P20618 1/20 0.34
PSMB5 P28074 1/20 0.34
CHRNA7 P36544 1/20 0.33
SLC6A4 P31645 5/20 0.33
SLC6A2 P23975 1/20 0.32
SIGMAR1 Q99720 2/20 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
SCHEMBL31249916 0.98 HRH3 (0.39) HRH3ALDH1A1LTA4HPSMB1PSMB5
SCHEMBL31249946 0.91 LTA4H (0.39) HRH3ALDH1A1LTA4HPSMB1PSMB5
SCHEMBL31249870 0.90 LTA4H (0.38) HRH3ALDH1A1LTA4HPSMB1PSMB5
SCHEMBL31249877 0.87 ALDH1A1 (0.37) HRH3ALDH1A1LTA4HPSMB1PSMB5
SCHEMBL31249880 0.86 HRH3 (0.36) HRH3ALDH1A1PSMB1PSMB5CHRNA7
SCHEMBL31249947 0.86 PSMB1 (0.38) HRH3ALDH1A1PSMB1PSMB5CHRNA7
SCHEMBL31249863 0.85 HRH3 (0.38) HRH3ALDH1A1PSMB1PSMB5CHRNA7
SCHEMBL9812451 0.84 HRH3 (0.40) HRH3ALDH1A1LTA4HPSMB1PSMB5
SCHEMBL31249920 0.84 PSMB1 (0.39) HRH3ALDH1A1PSMB1PSMB5CHRNA7
SCHEMBL31249889 0.83 PSMB1 (0.39) HRH3ALDH1A1PSMB1PSMB5CHRNA7

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