SCHEMBL9040223

SCHEMBL9040223

CC(c1c[nH]c2ccc(CCC3(O)CCCC3)cc12)[C@H]1CCCN1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
HTR6 P50406 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30

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
SCHEMBL8506282 0.82 HTR1D (0.44) SLC6A4SLC6A2SLC6A3GABRA1GABRB2
SCHEMBL8878498 0.81 HTR2A (0.38) SLC6A4SLC6A2SLC6A3GABRA1GABRB2
SCHEMBL8878506 0.81 HTR2A (0.38) SLC6A4SLC6A2SLC6A3GABRA1GABRB2
SCHEMBL6969552 0.79 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3
SCHEMBL9373102 0.79 HTR1B (0.39) SLC6A4SLC6A2SLC6A3HTR6HTR1D
SCHEMBL9373088 0.79 HTR1B (0.39) SLC6A4SLC6A2SLC6A3HTR6HTR1D
SCHEMBL7665068 0.76 HTR6 (0.54) SLC6A4GABRA1GABRB2HTR6HTR1D
SCHEMBL9236276 0.76 HTR1B (0.54) SLC6A2SLC6A3GABRA1GABRB2HTR6
SCHEMBL9236283 0.76 HTR1B (0.54) SLC6A2SLC6A3GABRA1GABRB2HTR6
SCHEMBL8208352 0.76 HTR1D (0.40) SLC6A4SLC6A2SLC6A3HTR6HTR1D

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-0695301-A1 INDOLE DERIVATIVES AS 5-H1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LTD (GB) 1996-02-07 EP claimed