SCHEMBL8552966

SCHEMBL8552966

C/[N+]([O-])=C/Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.49
HTR2B P41595 2/20 0.49
HTR2C P28335 1/20 0.49
TAAR1 Q96RJ0 1/20 0.47
IDO1 P14902 2/20 0.46
ACP3 P15309 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
OPRK1 P41145 1/20 0.43
MIF P14174 2/20 0.43
MAOB P27338 4/20 0.42
MAOA P21397 1/20 0.42
FBP1 P09467 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL8552968 1.00 HTR2A (0.49) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL8556127 0.78 TAAR1 (0.43) TAAR1IDO1MIFMAOBMAOA
SCHEMBL8556130 0.78 TAAR1 (0.43) TAAR1IDO1MIFMAOBMAOA
SCHEMBL6264578 0.78 HTR2A (0.56) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL28569050 0.77 FBP1 (0.53) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL5703037 0.75 IDO1 (0.59) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL39835 0.75 TAAR1 (0.56) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL14894202 0.75 FBP1 (0.57) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL8403636 0.75 HTR2A (0.53) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL10263844 0.75 IDO1 (0.59) HTR2AHTR2BHTR2CTAAR1IDO1

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-0626951-B1 BENZISOXAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BRITISH TECH GROUP (GB) 1998-07-29 EP disclosed
US-5578626-A Pharmaceutical compositions BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-11-26 US disclosed
US-5476867-A Pharmaceutical compositions BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-12-19 US disclosed
EP-0626951-A1 BENZISOXAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BTG INTERNATIONAL LIMITED (GB) 1994-12-07 EP disclosed
WO-1993017004-A1 BENZISOXAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BRITISH TECHNOLOGY GROUP LTD. (GB) 1993-09-02 WO disclosed