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Sugi Predict / Compounds / SCHEMBL7104737

SCHEMBL7104737

SCHEMBL7104737

CC(C)C[C@@H](C(=O)NN)[C@@H](C(=O)NOC1CCCCO1)C(/C=C/c1ccccc1)(CC(C)C)S(=O)(=O)CCCN(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.32
▸ CHRM4 P08173 2/20 0.32
▸ CHRM1 P11229 2/20 0.32
▸ CHRM3 P20309 2/20 0.32
▸ ADAM17 P78536 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
SCHEMBL7100916 0.94 CHRM2 (0.33) CHRM2CHRM4CHRM1CHRM3ADAM17
SCHEMBL7100566 0.92 MMP2 (0.30) ADAM17
SCHEMBL7105143 0.92 ADAM17 (0.32) ADAM17
SCHEMBL6942209 0.89 ADAM17 (0.33) ADAM17
SCHEMBL6943556 0.89 ADAM17 (0.33) ADAM17
SCHEMBL8111706 0.89 ADAM17 (0.33) ADAM17
SCHEMBL6940764 0.86 MMP1 (0.32) —
SCHEMBL6946835 0.84 ADAM17 (0.32) ADAM17
SCHEMBL6942714 0.83 ADAM17 (0.31) ADAM17
SCHEMBL6945811 0.83 ADAM17 (0.31) ADAM17

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-1133471-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-09-17 — — EP disclosed
EP-1133471-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-09-19 — — EP disclosed
US-6265446-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC.. 2001-07-24 — — US disclosed
WO-2000032570-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-08 — — WO disclosed