SCHEMBL9268190

SCHEMBL9268190

COc1cccc2c1CC1(CCCN1C(C)=O)CO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.56
HTR1B P28222 3/20 0.56
DRD2 P14416 1/20 0.56
HTR2A P28223 3/20 0.51
NOTUM Q6P988 1/20 0.41
LTA4H P09960 1/20 0.40
PDCD1LG2 Q9BQ51 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL9268676 0.87 HTR1A (0.52) HTR1AHTR1BDRD2HTR2A
SCHEMBL9271964 0.86 HTR1A (0.56) HTR1AHTR1BDRD2HTR2A
SCHEMBL9273260 0.85 HTR1A (0.51) HTR1AHTR1BDRD2HTR2A
SCHEMBL9273354 0.85 HTR1A (0.51) HTR1AHTR1BDRD2HTR2A
SCHEMBL9268057 0.84 HTR1A (0.52) HTR1AHTR1BDRD2HTR2A
SCHEMBL9272215 0.83 HTR1A (0.53) HTR1AHTR1BDRD2HTR2ALTA4H
SCHEMBL9271583 0.82 HTR1A (0.52) HTR1AHTR1BDRD2HTR2A
SCHEMBL9265574 0.81 HTR1A (0.47) HTR1AHTR1BDRD2HTR2A
SCHEMBL8557182 0.77 HTR1A (0.74) HTR1AHTR1BDRD2HTR2A
SCHEMBL9265778 0.76 HTR1A (0.68) HTR1AHTR1BDRD2HTR2A

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
US-5420150-A Antidepressants and treatment of anxiety GUILLAUMET GERALD (FR) 1995-05-30 US disclosed