SCHEMBL6565630

SCHEMBL6565630

CC(C)Oc1ccc(CCO)cc1OCCNCc1cccc(OC2CCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.55
RECQL P46063 1/20 0.48
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7698829 0.90 HTR1A (0.57) HTR1ARECQLALDH1A1TSHRMEN1
SCHEMBL7704555 0.88 HTR1A (0.59) HTR1ARECQLALDH1A1TSHRMEN1
SCHEMBL6566542 0.87 HTR1A (0.71) HTR1AALDH1A1TSHRLMNANPSR1
SCHEMBL6565627 0.86 HTR1A (0.55) HTR1ARECQLALDH1A1TSHRMEN1
SCHEMBL7703235 0.86 HTR1A (0.60) HTR1ARECQLALDH1A1TSHRMEN1
SCHEMBL7704512 0.86 HTR1A (0.57) HTR1ARECQLALDH1A1MEN1KMT2A
SCHEMBL7700763 0.86 HTR1A (0.70) HTR1AALDH1A1MEN1KMT2ALMNA
SCHEMBL6565577 0.85 HTR1A (0.54) HTR1ARECQLALDH1A1MEN1KMT2A
SCHEMBL7701352 0.84 HTR1A (0.55) HTR1ARECQLALDH1A1TSHRADRA1D
SCHEMBL6564443 0.83 HTR1A (0.52) HTR1AALDH1A1ADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135360-B1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PF MEDICAMENT (FR) 2004-03-31 EP claimed