SCHEMBL27435937

SCHEMBL27435937

C=CCC(C)Oc1ccc(NC)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 15/20 0.38
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
ADRA2A P08913 1/20 0.33
GPR65 Q8IYL9 1/20 0.33
GLA P06280 1/20 0.33
P2RX3 P56373 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL18889915 0.79 ALDH1A1 (0.40) ALDH1A1
SCHEMBL4633428 0.78 MTNR1A (0.46) MTNR1AMTNR1BALDH1A1
SCHEMBL2262966 0.74 SMN1; SMN2 (0.52) MTNR1AMTNR1BALDH1A1HTT
SCHEMBL12366004 0.74 SMN1; SMN2 (0.52) MTNR1AMTNR1BALDH1A1HTT
SCHEMBL12365997 0.74 SMN1; SMN2 (0.52) MTNR1AMTNR1BALDH1A1HTT
SCHEMBL2095043 0.73 GLA (0.55) APPADRA2AGPR65GLAALDH1A1
SCHEMBL17007983 0.71 GAA (0.36) ALDH1A1HTT
SCHEMBL17007985 0.71 GAA (0.36) ALDH1A1HTT
SCHEMBL717219 0.71 NPC1 (0.53) APPALDH1A1
SCHEMBL12370891 0.70 GPR88 (0.41) APPALDH1A1

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-2024126117-A1 PYRIMIDINONE DERIVATIVES AS PESTICIDAL COMPOUNDS BASF SE (DE) 2024-06-20 WO disclosed