SCHEMBL7107632

SCHEMBL7107632

CC(C)CNNC(=O)C(CC(C)C)[C@H](CC=Cc1ccccc1)C(=O)NOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.48
MMP2 P08253 8/20 0.41
MMP3 P08254 8/20 0.41
MMP7 P09237 7/20 0.41
MMP1 P03956 6/20 0.41
MMP8 P22894 2/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
HTR2A P28223 3/20 0.40
FCER2 P06734 1/20 0.39
ECE1 P42892 1/20 0.39
CTSB P07858 1/20 0.37
PSMB5 P28074 1/20 0.37
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37

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
SCHEMBL7103597 1.00 ADAM17 (0.48) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6982257 0.92 ADAM17 (0.45) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6984118 0.92 ADAM17 (0.45) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7850095 0.81 ADAM17 (0.44) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7850096 0.81 ADAM17 (0.44) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7850097 0.81 ADAM17 (0.44) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6942460 0.81 ADAM17 (0.46) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7955735 0.80 ADAM17 (0.42) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7955741 0.80 ADAM17 (0.42) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7955737 0.80 ADAM17 (0.42) ADAM17MMP2MMP3MMP7MMP1

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