SCHEMBL25404641

SCHEMBL25404641

CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2C(C)(C)c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.50
SMARCA4 P51532 1/20 0.50
PBRM1 Q86U86 1/20 0.50
NR1H2 P55055 1/20 0.47
GPR119 Q8TDV5 1/20 0.46
KIT P10721 1/20 0.45
CKS1B P61024 2/20 0.45
SKP1 P63208 2/20 0.45
SKP2 Q13309 2/20 0.45
PTPN11 Q06124 1/20 0.45
PIK3CA P42336 1/20 0.44
BACE1 P56817 4/20 0.43
RBP4 P02753 1/20 0.43
PDK2 Q15119 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NAMPT P43490 1/20 0.42
ACHE P22303 1/20 0.41
MAP4K4 O95819 1/20 0.41

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
SCHEMBL447089 0.86 NR1H2 (0.53) SMARCA2SMARCA4PBRM1NR1H2GPR119
SCHEMBL29665792 0.83 NR1H2 (0.51) SMARCA2SMARCA4PBRM1NR1H2GPR119
SCHEMBL265716 0.83 NR1H2 (0.51) SMARCA2SMARCA4PBRM1NR1H2GPR119
SCHEMBL31121084 0.81 SMARCA2 (0.54) SMARCA2SMARCA4PBRM1NR1H2GPR119
SCHEMBL25402115 0.81 SMARCA2 (0.54) SMARCA2SMARCA4PBRM1NR1H2GPR119
SCHEMBL34466226 0.80 MAPT (0.49) SMARCA2SMARCA4PBRM1NR1H2GPR119
SCHEMBL13419741 0.80 MAPT (0.49) SMARCA2SMARCA4PBRM1NR1H2GPR119
SCHEMBL29569426 0.79 NR1H2 (0.54) SMARCA2SMARCA4PBRM1NR1H2GPR119
SCHEMBL29508821 0.79 MAPT (0.55) SMARCA2SMARCA4PBRM1NR1H2GPR119
SCHEMBL993225 0.79 MAPT (0.55) SMARCA2SMARCA4PBRM1NR1H2GPR119

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-2023169391-A1 HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2023-09-14 WO disclosed