SCHEMBL25633952

SCHEMBL25633952

CC(C)(C)OC(=O)N1CCN(c2ccc(C(N)=O)nc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TSHR P16473 1/20 0.58
HRH3 Q9Y5N1 3/20 0.57
GPR119 Q8TDV5 8/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
CKS1B P61024 1/20 0.48
SKP1 P63208 1/20 0.48
SKP2 Q13309 1/20 0.48
SYK P43405 1/20 0.48
WNT3A P56704 1/20 0.48
NAMPT P43490 1/20 0.47
PIK3CA P42336 1/20 0.47
MAP4K4 O95819 1/20 0.47
CYP2C19 P33261 1/20 0.46

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
SCHEMBL14802434 0.89 MAPT (0.59) MAPTMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL18673194 0.89 MAPT (0.59) MAPTMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL25738496 0.88 SMN1; SMN2 (0.61) MAPTMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL29913781 0.86 SMN1; SMN2 (0.60) MAPTMEN1KMT2ASMN1; SMN2TSHR
Lithium Ion SCHEMBL20163132 0.86 MEN1 (0.57) MAPTMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL14802410 0.86 SMN1; SMN2 (0.60) MAPTMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL24649711 0.85 SMN1; SMN2 (0.56) MAPTMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL22912831 0.85 SMN1; SMN2 (0.65) MAPTMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL29020697 0.85 MAPT (0.56) MAPTMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL29396475 0.85 SMN1; SMN2 (0.65) MAPTMEN1KMT2ASMN1; SMN2TSHR

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-2023093845-A1 CHIMERIC COMPOUND FOR TARGETED DEGRADATION OF ANDROGEN RECEPTOR PROTEIN, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2023-06-01 WO disclosed