SCHEMBL29077488

SCHEMBL29077488

CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2cccc(N3CCN(C(=O)OCc4ccccc4)CC3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 8/20 0.51
TGM2 P21980 8/20 0.51
TGM1 P22735 8/20 0.51
TGM3 Q08188 1/20 0.51
GPR119 Q8TDV5 1/20 0.49
PKM P14618 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.47
NR1H2 P55055 2/20 0.46
NR1H3 Q13133 2/20 0.46
TGM6 O95932 1/20 0.46
RORC P51449 2/20 0.44
TGFBR1 P36897 2/20 0.43

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
SCHEMBL30690890 1.00 F13A1 (0.51) F13A1TGM2TGM1TGM3GPR119
SCHEMBL30810384 0.94 GPR119 (0.53) F13A1TGM2TGM1TGM3GPR119
SCHEMBL27298866 0.93 DRD2 (0.49) F13A1TGM2TGM1TGM3GPR119
SCHEMBL29640956 0.93 DRD2 (0.49) F13A1TGM2TGM1TGM3GPR119
SCHEMBL24571712 0.92 TMEM97 (0.45) F13A1TGM2TGM1TGM3GPR119
SCHEMBL29640929 0.86 TGM2 (0.49) F13A1TGM2TGM1TGM3PKM
SCHEMBL24571938 0.86 TGM2 (0.49) F13A1TGM2TGM1TGM3PKM
SCHEMBL29640961 0.83 F13A1 (0.45) F13A1TGM2TGM1TGM3PKM
SCHEMBL27298520 0.83 F13A1 (0.45) F13A1TGM2TGM1TGM3PKM
SCHEMBL30690894 0.82 F13A1 (0.45) F13A1TGM2TGM1TGM3PKM

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-116783205-A Compounds for degradation of cyclin-dependent kinase 2 via the ubiquitin proteasome pathway 尼坎治疗公司 2023-09-19 CN disclosed