SCHEMBL631528

SCHEMBL631528

CC(=O)OOOC(=O)CN1CCC(COc2ccc(C(=O)N3CCN(c4ccccc4C(C)(C)C)CC3)cc2)CC1C

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 12/20 0.62
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
GAA P10253 1/20 0.36
XBP1 P17861 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL766400 0.81 RBP4 (0.68) RBP4MEN1KMT2ALMNATSHR
SCHEMBL766256 0.79 RBP4 (0.79) RBP4MEN1KMT2ALMNATSHR
SCHEMBL766270 0.78 RBP4 (0.78) RBP4MEN1KMT2ALMNATSHR
SCHEMBL632049 0.78 RBP4 (0.77) RBP4MEN1KMT2ALMNATSHR
SCHEMBL3721337 0.77 RBP4 (0.79) RBP4MEN1KMT2ALMNATSHR
SCHEMBL631988 0.77 RBP4 (1.00) RBP4MEN1KMT2ALMNATSHR
SCHEMBL27873790 0.77 RBP4 (0.73) RBP4MEN1KMT2ALMNATSHR
SCHEMBL3718601 0.77 RBP4 (0.69) RBP4MEN1KMT2ALMNATSHR
SCHEMBL631529 0.76 RBP4 (0.74) RBP4MEN1KMT2ALMNATSHR
SCHEMBL27873714 0.75 RBP4 (0.72) RBP4MEN1KMT2ALMNATSHR

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