SCHEMBL7840000

SCHEMBL7840000

Cc1cccc(OCC2CN=C(N)O2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.55
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TAAR1 Q96RJ0 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
SCHEMBL7838171 0.86 GRM2 (0.55) GRM2ALDH1A1TP53CYP3A4TSHR
SCHEMBL1513703 0.86 GRM2 (0.42) GRM2ALDH1A1TP53SMN1; SMN2POLB
SCHEMBL1513706 0.86 GRM2 (0.42) GRM2ALDH1A1TP53SMN1; SMN2POLB
SCHEMBL6902066 0.84 ALDH1A1 (0.45) GRM2ALDH1A1TP53CYP3A4TSHR
SCHEMBL7842308 0.84 TAAR1 (0.57) GRM2ALDH1A1TP53CYP3A4TSHR
SCHEMBL3144469 0.83 RAB9A (0.42) GRM2ALDH1A1TP53CYP3A4TSHR
SCHEMBL3147892 0.83 GRM2 (0.57) GRM2ALDH1A1TP53CYP3A4TSHR
SCHEMBL8968056 0.83 TDP1 (0.54) GRM2ALDH1A1TP53CYP3A4TSHR
SCHEMBL9366247 0.83 ALDH1A1 (0.44) GRM2ALDH1A1TP53CYP3A4TSHR
SCHEMBL3143188 0.81 ALDH1A1 (0.46) GRM2ALDH1A1TP53CYP3A4TSHR

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
EP-0710658-B1 5-(Aryloxymethyl)oxazolines, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-10-04 EP disclosed