SCHEMBL30606201

SCHEMBL30606201

CNC(=O)C1CCN(C(=O)C2CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 3/20 0.48
ALDH1A1 P00352 4/20 0.44
TSHR P16473 1/20 0.44
CHRNB2 P17787 4/20 0.41
CHRNA3 P32297 4/20 0.41
CHRNA4 P43681 4/20 0.41
CHRNB3 Q05901 3/20 0.41
CHRNA6 Q15825 3/20 0.41
BCHE P06276 1/20 0.41
PTPN1 P18031 1/20 0.41
HSD11B1 P28845 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HTT P42858 1/20 0.40
PDK2 Q15119 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA7 P36544 1/20 0.39

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
SCHEMBL30606198 0.89 HPGD (0.55) SMN1; SMN2HPGDALDH1A1TSHRBCHE
SCHEMBL12060676 0.86 ALDH1A1 (0.55) SMN1; SMN2HPGDALDH1A1TSHRBCHE
SCHEMBL28231420 0.83 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1CHRNB2CHRNA4BCHE
SCHEMBL30606195 0.83 POLB (0.50) SMN1; SMN2ALDH1A1BCHEPDK2LMNA
SCHEMBL21424047 0.83 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1BCHEPDK2
SCHEMBL23011862 0.83 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1BCHEPDK2
SCHEMBL29543193 0.83 SMN1; SMN2 (0.40) SMN1; SMN2HPGDALDH1A1BCHEPTPN1
SCHEMBL29789521 0.82 RECQL (0.48) SMN1; SMN2ALDH1A1BCHEPDK2
SCHEMBL30778396 0.80 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1CHRNB2CHRNA4BCHE
SCHEMBL31391933 0.79 BCHE (0.42) SMN1; SMN2ALDH1A1BCHEPDK2

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
CN-116916924-A MALT1 modulators and uses thereof 稀有生物科学股份有限公司 2023-10-20 CN disclosed