SCHEMBL6946167

SCHEMBL6946167

CCC[C@](C(=O)NN)(c1ccc(C)cc1C(C/C=C/c1cccnc1)C(=O)OC(C)(C)C)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 17/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
RAB9A P51151 1/20 0.33
ALPL P05186 1/20 0.32
MAPK1 P28482 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
SCHEMBL6942211 0.90 NAMPT (0.35) NAMPTCHRNB2CHRNA4
SCHEMBL6943008 0.89 NAMPT (0.34) NAMPTCHRNB2CHRNA4
SCHEMBL6943304 0.83 TGFBR1 (0.34) NAMPT
SCHEMBL7940341 0.82 F10 (0.32) MAPK1
SCHEMBL6939572 0.81 PPARA (0.32)
SCHEMBL6940940 0.80 ADAM17 (0.35)
SCHEMBL6944740 0.80 CHRNB2 (0.36) NAMPTCHRNB2CHRNA4RAB9A
SCHEMBL6945109 0.76 MEN1 (0.33)
SCHEMBL6942114 0.76 MGLL (0.30)
SCHEMBL6944737 0.76 MMP9 (0.36)

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