SCHEMBL6944566

SCHEMBL6944566

C=CC[C@H](C(=O)NOC1CCCCO1)[C@@](CC(C)C)(C(=O)NN)c1ccccc1S(C)(=O)=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 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
SCHEMBL6944569 0.81 SLC6A3 (0.32)
SCHEMBL7937124 0.80 P2RX3 (0.32) P2RX3
SCHEMBL7930219 0.77 TGFBR1 (0.31) P2RX3
SCHEMBL7928806 0.74 P2RX3 (0.34) P2RX3
SCHEMBL8112771 0.72 SLC6A3 (0.31) P2RX3
SCHEMBL6941959 0.70 P2RX3 (0.34) P2RX3
SCHEMBL6939588 0.70 P2RX3 (0.37) P2RX3
SCHEMBL8097948 0.69 P2RX3 (0.31) P2RX3
SCHEMBL7930228 0.68 CTSC (0.33) P2RX3
SCHEMBL6941960 0.68 ADAM17 (0.33) P2RX3

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