SCHEMBL28637480

SCHEMBL28637480

C#CCN1C(=O)CCC1C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.40
KMT2A Q03164 1/20 0.40
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39
ALDH1A1 P00352 2/20 0.38
P2RX7 Q99572 7/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL10338892 0.85 KMT2A (0.41) KMT2AP2RX7
SCHEMBL28639277 0.83 ADRA1A (0.39) ADRA1AKMT2AADRA1DADRA1BALDH1A1
SCHEMBL11949260 0.83 P2RX7 (0.49) ADRA1AKMT2AP2RX7
SCHEMBL2575919 0.83 P2RX7 (0.49) ADRA1AKMT2AP2RX7
SCHEMBL2575921 0.83 P2RX7 (0.49) ADRA1AKMT2AP2RX7
SCHEMBL9542954 0.79 ADRA1A (0.46) ADRA1AKMT2AADRA1DADRA1BALDH1A1
SCHEMBL9382993 0.79 ADRA1A (0.46) ADRA1AKMT2AADRA1DADRA1BALDH1A1
SCHEMBL10561504 0.77 P2RX7 (0.35) KMT2AP2RX7MAPT
SCHEMBL13331904 0.77 ALDH1A1 (0.48) ADRA1AKMT2AADRA1DADRA1BALDH1A1
SCHEMBL10662677 0.77 CHRM2 (0.39) KMT2AP2RX7

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
CN-113307758-B P2X7 receptor targeting probe precursor labeled by medical radioactive isotope 复旦大学 2022-10-14 CN disclosed
CN-113307758-A P2X7 receptor targeting probe precursor labeled by medical radioactive isotope 复旦大学 2021-08-27 CN disclosed