SCHEMBL4789099

SCHEMBL4789099

Cc1nc(C)c(S(=O)(=O)Oc2cccc3c2C[C@H](N)CO3)s1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL4789100 1.00 HTR1A (0.31) HTR1ADRD2DRD1HTR1BHTR2A
SCHEMBL4749973 0.73 METAP2 (0.35) HTR1ADRD2
SCHEMBL4749974 0.73 METAP2 (0.35) HTR1ADRD2
SCHEMBL4788607 0.73 CNR2 (0.36) DRD2HTR2A
SCHEMBL4788597 0.73 CNR2 (0.36) DRD2HTR2A
SCHEMBL873501 0.70 DRD2 (0.54) HTR1ADRD2DRD1HTR1BHTR2A
SCHEMBL873500 0.70 DRD2 (0.54) HTR1ADRD2DRD1HTR1BHTR2A
SCHEMBL14157832 0.70 DRD2 (0.54) HTR1ADRD2DRD1HTR1BHTR2A
SCHEMBL4839911 0.70 DRD2 (0.54) HTR1ADRD2DRD1HTR1BHTR2A
Hydrochloric Acid SCHEMBL8823809 0.69 DRD2 (0.53) HTR1ADRD2DRD1HTR1BHTR2A

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-2008130319-A2 NOVEL N-TETRAHYDRONAPHTALENE OR N-CHROMANE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO disclosed