SCHEMBL11097056

SCHEMBL11097056

CC1CC(=O)NN=C1c1ccc(O)c(N)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 2/20 0.64
MAPT P10636 1/20 0.64
THRB P10828 1/20 0.64
PDE3B Q13370 16/20 0.63
PDE3A Q14432 16/20 0.63
PDE4A P27815 3/20 0.60
PDE4B Q07343 3/20 0.60
PDE4C Q08493 3/20 0.60
PDE4D Q08499 3/20 0.60
GPR119 Q8TDV5 1/20 0.54
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL2583128 0.90 GALR3 (0.66) GALR3MAPTTHRBPDE3BPDE3A
SCHEMBL992766 0.87 GALR3 (0.72) GALR3MAPTTHRBPDE3BPDE3A
SCHEMBL9688046 0.86 PDE3B (0.63) GALR3MAPTTHRBPDE3BPDE3A
SCHEMBL9686024 0.85 PDE3B (0.78) GALR3MAPTTHRBPDE3BPDE3A
SCHEMBL2842077 0.85 PDE3B (0.62) GALR3MAPTTHRBPDE3BPDE3A
SCHEMBL21225874 0.84 GALR3 (0.69) GALR3MAPTTHRBPDE3BPDE3A
SCHEMBL30100309 0.84 GALR3 (0.69) GALR3MAPTTHRBPDE3BPDE3A
SCHEMBL31117110 0.83 GALR3 (0.67) GALR3MAPTTHRBPDE3BPDE3A
SCHEMBL16157197 0.83 GALR3 (0.67) GALR3MAPTTHRBPDE3BPDE3A
SCHEMBL7267644 0.83 PDE3B (0.80) GALR3MAPTTHRBPDE3BPDE3A

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-0034743-B1 BENZOXAZOLES, THEIR PREPARATION AND THEIR USE AS MEDICINES Dr. Karl Thomae GmbH (DE) 1984-05-30 EP disclosed
EP-0034743-A1 Benzoxazoles, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1981-09-02 EP disclosed