SCHEMBL31039760

SCHEMBL31039760

NC1CCCN(CCCOCc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.55
HRH3 Q9Y5N1 4/20 0.51
TEAD3 Q99594 2/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL4318812 0.87 LTA4H (0.65) LTA4HHRH3TEAD3KDM4EHTT
SCHEMBL6942319 0.83 TEAD3 (0.56) LTA4HHRH3TEAD3KDM4EALDH1A1
SCHEMBL1706813 0.83 KDM4E (0.57) LTA4HKDM4E
SCHEMBL7289138 0.83 KDM4E (0.57) LTA4HKDM4E
SCHEMBL22440218 0.82 LTA4H (0.77) LTA4HHRH3TEAD3NPC1RAB9A
SCHEMBL25285380 0.80 SLC6A3 (0.61) LTA4H
SCHEMBL21197752 0.80 SLC6A3 (0.61) LTA4H
SCHEMBL27350521 0.80 SLC6A3 (0.61) LTA4H
SCHEMBL8109363 0.79 LTA4H (0.55) LTA4HHRH3TEAD3NPC1RAB9A
SCHEMBL6947336 0.79 LTA4H (0.55) LTA4HHRH3TEAD3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630417-A1 NOVEL COMPOUNDS AS MODULATORS OF NLRP3 INHIBITION F. Hoffmann-La Roche AG (CH) 2025-10-15 EP disclosed
WO-2024121086-A1 NOVEL COMPOUNDS AS MODULATORS OF NLRP3 INHIBITION F. HOFFMANN-LA ROCHE AG (CH) 2024-06-13 WO disclosed