SCHEMBL7449079

SCHEMBL7449079

O=c1oc(CCc2ccccc2F)cc(O)c1CCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 7/20 0.44
DAO P14920 2/20 0.43
PGAM1 P18669 1/20 0.42
HTR3A P46098 1/20 0.41
HTR2C P28335 2/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HSP90AA1 P07900 1/20 0.38
IGF1R P08069 1/20 0.38
ALOX15 P16050 1/20 0.38
NR3C2 P08235 1/20 0.37
LPL P06858 1/20 0.37
LIPC P11150 1/20 0.37

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
SCHEMBL6177760 0.87 HTR2B (0.52) HTR2BDAOPGAM1HTR3AHTR2C
SCHEMBL6178657 0.86 HTR2B (0.57) HTR2BDAOPGAM1HTR3AHTR2C
SCHEMBL9199296 0.85 HTR2B (0.56) HTR2BDAOPGAM1HTR3AHTR2C
SCHEMBL6174221 0.81 HTR2B (0.49) HTR2BPGAM1HTR3AHTR2CMAPT
SCHEMBL6176274 0.81 IDH1 (0.49) HTR2BDAOPGAM1HTR3AHTR2C
SCHEMBL9196012 0.81 HTR2B (0.46) HTR2BDAOPGAM1HTR3AHTR2C
SCHEMBL6173771 0.79 CNR1 (0.50) HTR2BHTR2CMAPT
SCHEMBL9199124 0.78 IGF1R (0.46) HTR2BDAOPGAM1HTR3AHTR2C
SCHEMBL9195193 0.77 HTR2B (0.45) HTR2BDAOPGAM1HTR3AHTR2C
SCHEMBL6174060 0.77 HTR2B (0.44) HTR2BDAOPGAM1HTR3AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0668860-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1995-08-30 EP disclosed
WO-1994011361-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1994-05-26 WO disclosed