SCHEMBL630684

SCHEMBL630684

CCC1CN(c2ccc(C(C)(C)O)cc2C(C)(C)C)CCN1CC(=O)OOOC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.34
MAPT P10636 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL630911 0.89 RBP4 (0.35) RBP4MAPT
SCHEMBL630560 0.88 SLC6A9 (0.36) RBP4MAPT
SCHEMBL631571 0.88 RBP4 (0.48) RBP4MAPT
SCHEMBL631287 0.86 RBP4 (0.34) RBP4MAPT
SCHEMBL631926 0.86 RBP4 (0.34) RBP4MAPT
SCHEMBL766126 0.75 RBP4 (0.41) RBP4MAPTLIPG
SCHEMBL3718894 0.67 RBP4 (0.32) RBP4LIPG
SCHEMBL631983 0.67 RBP4 (0.46) RBP4
SCHEMBL631682 0.66 PKM (0.53) RBP4MAPT
SCHEMBL631019 0.66 RBP4 (0.52) RBP4

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
EP-2419413-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP disclosed