SCHEMBL7945882

SCHEMBL7945882

Fc1ccc(OCC[C@H]2COC(I)=N2)c(Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.42
DHFR P00374 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL1832399 0.88 TAAR1 (0.54) TAAR1
SCHEMBL1832402 0.88 TAAR1 (0.54) TAAR1
SCHEMBL1832411 0.74 TAAR1 (0.57) TAAR1
SCHEMBL1832415 0.74 TAAR1 (0.57) TAAR1
SCHEMBL8892790 0.74 S1PR4 (0.42) S1PR4
SCHEMBL1835998 0.72 TAAR1 (0.65) TAAR1
SCHEMBL1836001 0.72 TAAR1 (0.65) TAAR1
SCHEMBL8892311 0.72
SCHEMBL8893119 0.71 MRGPRX4 (0.42)
SCHEMBL8893878 0.70 CYP2C19 (0.40)

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-2010010014-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed