SCHEMBL9094232

SCHEMBL9094232

O=C(O)C1CN(CCOC2c3ccccc3CC(c3ccccc3)c3ccccc32)CCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC18A3 Q16572 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL9091831 0.88 DRD1 (0.36) HTR2AHTR2CHRH1SLC6A1
SCHEMBL8714604 0.88 SLC6A1 (0.41) LMNAALDH1A1MAPTTSHRKDM4E
SCHEMBL9095238 0.82 SLC6A1 (0.37) LMNAALDH1A1MAPTTSHRHTT
SCHEMBL8934775 0.81 SLC6A1 (0.53) SLC6A1
SCHEMBL9091762 0.81 LTA4H (0.47) SLC18A3SLC6A1
SCHEMBL9091737 0.78 SLC6A1 (0.45) MEN1KMT2ASLC6A1
SCHEMBL9091881 0.75 SMN1; SMN2 (0.41) SMN1; SMN2SLC6A1
SCHEMBL9229546 0.75 GRIN2B (0.34) OPRM1SLC6A1
SCHEMBL8934773 0.69 SLC6A1 (0.53) SLC6A1
SCHEMBL8934363 0.69 MTNR1A (0.41) TSHRMEN1KMT2AHTR2AHTR2C

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
WO-1996031503-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO claimed
WO-1996031503-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO disclosed