SCHEMBL9545375

SCHEMBL9545375

CN(C)C(=O)CCN1CCC[C@@H]1Cc1c[nH]c2ccc(-c3cccc(C(=O)N(C)C)c3)cc12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 13/20 0.46
HTR1D P28221 11/20 0.46
HTR1A P08908 2/20 0.42
HTR6 P50406 4/20 0.42
DAGLA Q9Y4D2 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAP4K1 Q92918 1/20 0.42
HTR2A P28223 1/20 0.41

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
SCHEMBL9545605 0.92 HTR1B (0.46) HTR1BHTR1DHTR1AHTR6
SCHEMBL8979722 0.89 HTR1B (0.51) HTR1BHTR1DHTR1AHTR6
SCHEMBL8886182 0.83 HTR6 (0.49) HTR1BHTR1DHTR1AHTR6
SCHEMBL8914055 0.80 HTR1B (0.52) HTR1BHTR1DHTR1AHTR6HTR2A
SCHEMBL8979702 0.80 DAGLA (0.49) HTR1BHTR1DHTR1AHTR6DAGLA
SCHEMBL8915516 0.79 HTR1B (0.45) HTR1BHTR1DHTR1AHTR6
SCHEMBL8915512 0.79 HTR1B (0.45) HTR1BHTR1DHTR1AHTR6
SCHEMBL8979679 0.79 HTR1B (0.53) HTR1BHTR1DHTR1AHTR6
SCHEMBL8913746 0.78 HTR1B (0.49) HTR1BHTR1DHTR1AHTR6HTR2A
SCHEMBL8915703 0.78 HTR1B (0.49) HTR1BHTR1DHTR1AHTR6HTR2A

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-1993021178-A1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS PFIZER LIMITED (GB) 1993-10-28 WO disclosed