SCHEMBL9630262

SCHEMBL9630262

CCCCCC(Cl)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
OPRM1 P35372 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TSHR P16473 1/20 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
SCHEMBL10499146 0.94 HRH3 (0.42) HRH3MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL28205449 0.82 SLC6A3 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL24688643 0.78 HRH3 (0.40) HRH3MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL9370536 0.78 HRH3 (0.40) HRH3MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL3160023 0.78 HRH3 (0.40) HRH3MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL22363315 0.77 HRH3 (0.39) HRH3MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL21210881 0.77 HRH3 (0.39) HRH3MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL24604493 0.77 OPRM1 (0.39) HRH3MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL22446838 0.77 HRH3 (0.39) HRH3MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL22877461 0.77 HRH3 (0.42) HRH3MAPTALDH1A1L3MBTL1MAPK1

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-0220112-B1 AROMATIC DERIVATIVES SUBSTITUTED BY AN (OMEGA-AMINO)-ALKANOL GROUP WITH AN ANTIMICROBIAL ACTIVITY, THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM ELF SANOFI (FR) 1992-04-08 EP disclosed
EP-0220112-A2 Aromatic derivatives substituted by an (omega-amino)-alkanol group with an antimicrobial activity, their preparation and compositions containing them ELF SANOFI (FR) 1987-04-29 EP disclosed