SCHEMBL4968465

SCHEMBL4968465

C=CC(O)c1cccnc1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
HIF1A Q16665 2/20 0.32
FAAH O00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL9640534 0.89
SCHEMBL13713003 0.79 GABRA1 (0.41) GABRA1GABRB2HIF1AFAAHCA1
SCHEMBL20851271 0.77 ALDH1A1 (0.35) LMNAHTR2CHTR2BPDK2
SCHEMBL8656464 0.76 NOS3 (0.39) TSHR
SCHEMBL269332 0.76 GABRA1 (0.46) GABRA1GABRB2HIF1AFAAHCA1
Ammonia Solution, Strong SCHEMBL28822995 0.74 GABRA1 (0.44) GABRA1GABRB2HIF1AFAAHCA1
SCHEMBL6852595 0.74 MMP2 (0.47) HIF1ACA1CA2LMNACYP1A2
SCHEMBL4967850 0.73 LMNA (0.39) GABRA1GABRB2HIF1AFAAHCA1
Alcohol SCHEMBL27794349 0.72 GABRA1 (0.45) GABRA1GABRB2HIF1AFAAHCA1
SCHEMBL12371007 0.72 GABRA1 (0.39) GABRA1GABRB2HIF1AFAAHCA1

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-2008113835-A1 PROCESS FOR PREPARING (R OR S)-5-{1-AZIDO-3-[6-METHOXY-5-(3-METHOXY-PROPOXY)-PYRIDIN-3-YLMETHYL]-4-METHYL-PENTYL}-3-ALKYL-DIHYDRO-FURAN-2-ONE NOVARTIS AG (CH) 2008-09-25 WO disclosed