SCHEMBL6944569

SCHEMBL6944569

C=CC[C@H](C(=O)NOC1CCCCO1)[C@@](CC(C)C)(C(=O)NNS(C)(=O)=O)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.30
HPGD P15428 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
SCHEMBL6944566 0.81 P2RX3 (0.31)
SCHEMBL7937125 0.81 ALDH1A1 (0.31) SLC6A3GAA
SCHEMBL7930228 0.79 CTSC (0.33) SLC6A3
SCHEMBL6939590 0.75 P2RX3 (0.36) MEN1KMT2AHPGD
SCHEMBL6947400 0.71 ADAM17 (0.46) SLC6A3GAA
SCHEMBL6937845 0.71 ADAM17 (0.46) SLC6A3GAA
SCHEMBL6941960 0.71 ADAM17 (0.33) MEN1KMT2AGAA
SCHEMBL7928806 0.71 P2RX3 (0.34) SLC6A3GAA
SCHEMBL8112771 0.71 SLC6A3 (0.31) SLC6A3
SCHEMBL7940281 0.70 CCNA2 (0.31) HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed