SCHEMBL31249947

SCHEMBL31249947

CCN(C)CC(C)OCCN1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 2/20 0.38
PSMB5 P28074 2/20 0.38
HRH3 Q9Y5N1 3/20 0.38
CHRNA7 P36544 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
SLC22A1 O15245 1/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 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
SCHEMBL31249877 0.98 ALDH1A1 (0.37) PSMB1PSMB5HRH3CHRNA7ALDH1A1
SCHEMBL31249916 0.88 HRH3 (0.39) PSMB1PSMB5HRH3CHRNA7ALDH1A1
SCHEMBL31249936 0.87 PSMB1 (0.41) PSMB1PSMB5HRH3CHRNA7ALDH1A1
SCHEMBL31249846 0.86 PSMB1 (0.41) PSMB1PSMB5HRH3CHRNA7ALDH1A1
SCHEMBL31249944 0.86 HRH3 (0.37) PSMB1PSMB5HRH3CHRNA7ALDH1A1
SCHEMBL31249920 0.85 PSMB1 (0.39) PSMB1PSMB5HRH3CHRNA7ALDH1A1
SCHEMBL31249870 0.85 LTA4H (0.38) PSMB1PSMB5HRH3CHRNA7ALDH1A1
SCHEMBL31249889 0.84 PSMB1 (0.39) PSMB1PSMB5HRH3CHRNA7ALDH1A1
SCHEMBL31249946 0.83 LTA4H (0.39) PSMB1PSMB5HRH3CHRNA7ALDH1A1
SCHEMBL31249863 0.83 HRH3 (0.38) PSMB1PSMB5HRH3CHRNA7ALDH1A1

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