SCHEMBL30457732

SCHEMBL30457732

CCCC(NC)C1Oc2ccccc2O1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
ESR2 Q92731 1/20 0.36
HPGD P15428 2/20 0.33
HTR2A P28223 2/20 0.33
HRH1 P35367 2/20 0.33
LTA4H P09960 2/20 0.33
CA2 P00918 1/20 0.33
AOC3 Q16853 1/20 0.32
DRD2 P14416 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 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
SCHEMBL30064636 1.00 L3MBTL1 (0.37) L3MBTL1POLBESR2HPGDHTR2A
SCHEMBL30064621 1.00 L3MBTL1 (0.37) L3MBTL1POLBESR2HPGDHTR2A
SCHEMBL30064472 1.00 L3MBTL1 (0.37) L3MBTL1POLBESR2HPGDHTR2A
SCHEMBL17592745 1.00 L3MBTL1 (0.37) L3MBTL1POLBESR2HPGDHTR2A
Hydrochloric Acid SCHEMBL25265190 0.98 POLB (0.39) L3MBTL1POLBESR2HPGDHTR2A
SCHEMBL11695994 0.70 HPGD (0.36) L3MBTL1POLBESR2HPGDMAPT
SCHEMBL30515258 0.69 HTR2A (0.44) L3MBTL1POLBESR2HTR2AHRH1
SCHEMBL31034850 0.69 CA2 (0.39) L3MBTL1POLBESR2HPGDLTA4H
SCHEMBL11001435 0.68 LTA4H (0.37) L3MBTL1POLBESR2LTA4HCA2
SCHEMBL3636153 0.68 KDM4E (0.39) POLBESR2HPGDLTA4HCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4623304-A1 DERIVATISATION AGENT FOR LASER DESORPTION IONIZATION MASS SPECTROMETRY F. Hoffmann-La Roche AG (CH) 2025-10-01 EP disclosed
EP-4387612-A4 COMPOSITIONS COMPRISING NON-RACEMIC MIXTURES OF (R)- AND (S)-3,4-METHYLENEDIOXYMETHAMPHETAMINE OR (R) AND (S) N-METHYL-1,3-BENZODIOXOLYLBUTANAMINE AND USES THEREOF PHARMALA BIOTECH INC (CA) 2025-07-23 EP disclosed
EP-4387612-A1 COMPOSITIONS COMPRISING NON-RACEMIC MIXTURES OF (R)- AND (S)-3,4-METHYLENEDIOXYMETHAMPHETAMINE OR (R) AND (S) N-METHYL-1,3-BENZODIOXOLYLBUTANAMINE AND USES THEREOF Pharmala Biotech Inc. (CA) 2024-06-26 EP disclosed
WO-2024110385-A1 DERIVATISATION AGENT FOR LASER DESORPTION IONIZATION MASS SPECTROMETRY F. HOFFMANN-LA ROCHE AG (CH) 2024-05-30 WO disclosed
WO-2023108172-A2 ANALOGS OF 4-SUBSTITUTED-2,5-DIMETHOXYAMPHETAMINE TERRAN BIOSCIENCES, INC. (US) 2023-06-15 WO disclosed