SCHEMBL8689013

SCHEMBL8689013

O=S(=O)(c1ccccc1)n1cc(CC(O)Br)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.68
HTR1A P08908 1/20 0.60
DRD2 P14416 1/20 0.60
HTR1D P28221 1/20 0.60
HTR1B P28222 1/20 0.60
HTR1F P30939 1/20 0.60
HTR7 P34969 1/20 0.60
DRD3 P35462 1/20 0.60
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
AKR1C3 P42330 1/20 0.52
AKR1C1 Q04828 1/20 0.52

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
SCHEMBL946691 0.85 HTR6 (0.75) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL30579484 0.84 HTR6 (0.73) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL13137678 0.84 HTR6 (0.73) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL18063387 0.81 HTR6 (0.66) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL16704081 0.81 HTR6 (0.69) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL7894537 0.81 HTR6 (0.74) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL7902124 0.81 HTR6 (0.73) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL946710 0.81 HTR6 (0.73) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL7433712 0.79 HTR6 (0.58) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL3033927 0.79 HTR6 (0.71) HTR6HTR1ADRD2HTR1DHTR1B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817879-A PEPTIDE ANTAGONIST TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1998-10-06 US disclosed
US-5550251-A CROSSREACTIVE WITH PEPTIDES BOUND BY G-PROTEIN LINKED RECEPTORS; USED AS THERAPEUTICAL, DIAGNOSTIC, AND PROPHYLITIC THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1996-08-27 US disclosed
US-5250564-A Modulating activity of mammalian G-protein-linked receptor TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1993-10-05 US disclosed
WO-1993012084-A1 AROMATIC PEPTIDOMIMETICS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1993-06-24 WO disclosed
WO-1993011731-A2 ALICYCLIC PEPTIDOMIMETICS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1993-06-24 WO disclosed