SCHEMBL23228697

SCHEMBL23228697

CC(C)(O)CCOc1ccccc1C1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.58
SLC6A4 P31645 13/20 0.58
HTR1A P08908 12/20 0.58
SLC6A3 Q01959 10/20 0.58
HTR2C P28335 4/20 0.57
VDR P11473 1/20 0.46
SSTR4 P31391 1/20 0.45
HTR1D P28221 1/20 0.44
HTR1B P28222 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
SCHEMBL23228629 0.87 SLC6A2 (0.59) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL23230121 0.84 HTR6 (0.49) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL23229984 0.84 SLC6A2 (0.62) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL23228758 0.84 SSTR4 (0.54) SLC6A2SLC6A4HTR1ASLC6A3VDR
SCHEMBL23228623 0.83 SLC6A2 (0.61) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL6926596 0.82 SLC6A2 (0.64) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL23228665 0.81 HTR2C (0.67) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL11827483 0.81 SLC6A2 (0.62) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL23228751 0.80 HTR2C (0.65) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL5669748 0.79 SLC6A2 (0.68) SLC6A2SLC6A4HTR1ASLC6A3HTR2C

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
WO-2021070090-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS AG (CH) 2021-04-15 WO disclosed