SCHEMBL631571

SCHEMBL631571

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.48
BRD4 O60885 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.33
CETP P11597 1/20 0.33
OPRK1 P41145 1/20 0.33
HSD11B1 P28845 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31

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 0.90 RBP4 (0.35) RBP4BRD4MEN1KMT2ASMN1; SMN2
SCHEMBL630560 0.89 SLC6A9 (0.36) RBP4HSD11B1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL630684 0.88 RBP4 (0.34) RBP4MAPT
SCHEMBL631287 0.87 RBP4 (0.34) RBP4MEN1ALDH1A1KMT2AMAPT
SCHEMBL631926 0.87 RBP4 (0.34) RBP4MAPT
SCHEMBL766203 0.75 RBP4 (0.56) RBP4BRD4PTGDR2CETPOPRK1
SCHEMBL631983 0.68 RBP4 (0.46) RBP4RAB9A
SCHEMBL630574 0.66 RBP4 (0.73) RBP4MEN1ALDH1A1RAB9AKMT2A
SCHEMBL632040 0.65 RBP4 (1.00) RBP4PTGDR2MEN1ALDH1A1KMT2A
SCHEMBL30996959 0.65 RBP4 (1.00) RBP4PTGDR2MEN1ALDH1A1KMT2A

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