SCHEMBL6943842

SCHEMBL6943842

C[C@](C(=O)NN)(c1cccc(C2CCC2)c1[C@H](C/C=C/c1ccccc1)C(=O)NOC1CCCCO1)S(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.32
TGFBR1 P36897 1/20 0.32

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
SCHEMBL6942474 0.99 P2RX3 (0.33) P2RX3TGFBR1
SCHEMBL6943822 0.87 ADAM17 (0.35)
SCHEMBL6939399 0.87 ADAM17 (0.35)
SCHEMBL6947932 0.82 TGFBR1 (0.33) P2RX3TGFBR1
SCHEMBL7937124 0.76 P2RX3 (0.32) P2RX3TGFBR1
SCHEMBL7928806 0.75 P2RX3 (0.34) P2RX3TGFBR1
SCHEMBL6946176 0.74 TGFBR1 (0.33) P2RX3TGFBR1
SCHEMBL6945851 0.73 P2RX3 (0.32) P2RX3TGFBR1
SCHEMBL6948116 0.73 TGFBR1 (0.32) P2RX3TGFBR1
SCHEMBL7934868 0.73 CTSC (0.35) P2RX3TGFBR1

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 4 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
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US 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