SCHEMBL5219792

SCHEMBL5219792

[CH2]C[C@@H]1OCCc2cc(C(N)=O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 19/20 0.52
HTR1B P28222 10/20 0.52
HTR1A P08908 4/20 0.51
DRD2 P14416 3/20 0.51
HTR2A P28223 3/20 0.51
DRD4 P21917 1/20 0.51
SLC6A4 P31645 3/20 0.49

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
SCHEMBL5093578 0.84 HTR1D (0.56) HTR1DHTR1BHTR1ADRD2HTR2A
SCHEMBL6812048 0.84 HTR1D (0.56) HTR1DHTR1BHTR1ADRD2HTR2A
SCHEMBL8554662 0.78 HTR1D (0.46) HTR1DHTR1BHTR1ADRD2HTR2A
SCHEMBL5088740 0.76 HTR1D (0.53) HTR1DHTR1BHTR1ADRD2HTR2A
SCHEMBL6808402 0.76 HTR1D (0.53) HTR1DHTR1BHTR1ADRD2HTR2A
SCHEMBL6995726 0.76 HTR1D (0.48) HTR1DHTR1BHTR1ADRD2HTR2A
SCHEMBL6811129 0.76 HTR1D (0.52) HTR1DHTR1BHTR1ADRD2HTR2A
SCHEMBL5093705 0.76 HTR1D (0.52) HTR1DHTR1BHTR1ADRD2HTR2A
SCHEMBL8550172 0.73 HTR1D (0.46) HTR1DHTR1BHTR1ADRD2HTR2A
SCHEMBL8551188 0.72 HTR1D (0.78) HTR1DHTR1BHTR1ADRD2HTR2A

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-1458703-B1 ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS LILLY CO ELI (US) 2007-02-28 EP disclosed