SCHEMBL8306101

SCHEMBL8306101

Nc1cc(F)c(C2CNCCO2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 1/20 0.42
HTR2A P28223 1/20 0.40

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
SCHEMBL578752 0.83 HTR1A (0.46) HTR1ADRD2DRD3
SCHEMBL7494328 0.80 DRD2 (0.42) DRD2DRD3HTR2A
SCHEMBL15688078 0.80 HTR1A (0.46) HTR1ADRD2DRD3
SCHEMBL12696027 0.80 HTR1A (0.46) HTR1ADRD2DRD3
SCHEMBL590892 0.80 HTR1A (0.40) HTR1ADRD2DRD3HTR2A
SCHEMBL2406116 0.80 HTR1A (0.46) HTR1ADRD2DRD3
Hydrochloric Acid SCHEMBL15688231 0.78 HTR1A (0.45) HTR1ADRD2DRD3
Hydrochloric Acid SCHEMBL15687944 0.78 HTR1A (0.45) HTR1ADRD2DRD3
SCHEMBL29045090 0.78 HTR1A (0.47) HTR1ADRD2DRD3
SCHEMBL8306011 0.77 HTR1A (0.38) HTR1ADRD2DRD3HTR2A

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
EP-0717738-B1 SUBSTITUTED OXAZINE AND THIAZINE OXAZOLIDINONE ANTIMICROBIALS UPJOHN CO (US) 1999-10-20 EP disclosed
US-5880118-A Substituted oxazine and thiazine oxazolidinone antimicrobials PHARMACIA & UPJOHN COMPANY (US) 1999-03-09 US disclosed
US-5688792-A BACTERICIDES PHARMACIA & UPJOHN COMPANY (US) 1997-11-18 US disclosed
EP-0717738-A1 SUBSTITUTED OXAZINE AND THIAZINE OXAZOLIDINONE ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1996-06-26 EP disclosed
WO-1995007271-A1 SUBSTITUTED OXAZINE AND THIAZINE OXAZOLIDINONE ANTIMICROBIALS THE UPJOHN COMPANY (US) 1995-03-16 WO disclosed