SCHEMBL630560

SCHEMBL630560

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.36
RBP4 P02753 5/20 0.36
NOTUM Q6P988 2/20 0.32
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 2/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD11B1 P28845 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
KMT2A Q03164 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 0.90 RBP4 (0.35) SLC6A9RBP4LMNASMN1; SMN2TSHR
SCHEMBL631571 0.89 RBP4 (0.48) RBP4ALDH1A1SMN1; SMN2MAPTHSD11B1
SCHEMBL630684 0.88 RBP4 (0.34) RBP4MAPT
SCHEMBL631287 0.87 RBP4 (0.34) RBP4LMNAALDH1A1MAPTKMT2A
SCHEMBL631926 0.87 RBP4 (0.34) RBP4MAPT
SCHEMBL766175 0.75 RBP4 (0.47) SLC6A9RBP4NOTUMLMNAKDM4E
SCHEMBL631983 0.68 RBP4 (0.46) RBP4
SCHEMBL630486 0.66 RBP4 (0.55) RBP4LMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL766166 0.65 RBP4 (0.74) RBP4LMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL630561 0.65 PKM (0.53) RBP4LMNAKDM4EALDH1A1TSHR

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