SCHEMBL28639277

SCHEMBL28639277

CCOC(=O)C1CCC(=O)N1CC#CBr

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.39
KMT2A Q03164 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1B P35368 1/20 0.38
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM5 P08912 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
P2RX7 Q99572 7/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 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
SCHEMBL28637480 0.83 ADRA1A (0.40) ADRA1AKMT2AADRA1DADRA1BP2RX7
SCHEMBL2575919 0.81 P2RX7 (0.49) ADRA1AKMT2AP2RX7
SCHEMBL2575921 0.81 P2RX7 (0.49) ADRA1AKMT2AP2RX7
SCHEMBL11949260 0.81 P2RX7 (0.49) ADRA1AKMT2AP2RX7
SCHEMBL28627005 0.80 ACE (0.39) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL9542954 0.77 ADRA1A (0.46) ADRA1AKMT2AADRA1DADRA1BP2RX7
SCHEMBL9382993 0.77 ADRA1A (0.46) ADRA1AKMT2AADRA1DADRA1BP2RX7
SCHEMBL13331904 0.75 ALDH1A1 (0.48) ADRA1AKMT2AADRA1DADRA1BALDH1A1
SCHEMBL9150751 0.74 ALDH1A1 (0.50) ADRA1AKMT2AADRA1DADRA1BALDH1A1
SCHEMBL8615386 0.74 ADRA1A (0.45) ADRA1AKMT2AADRA1DADRA1BP2RX7

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