SCHEMBL7656424

SCHEMBL7656424

CC(=O)SCCN(CCC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCN(C)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 9/20 0.38
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
TSHR P16473 1/20 0.34
CTSK P43235 5/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTR1A P08908 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 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
SCHEMBL27559931 1.00 CACNA1B (0.38) CACNA1BMMP1MMP3MMP9TSHR
SCHEMBL6895466 0.85 CACNA1B (0.39) CACNA1BMMP1MMP3MMP9TSHR
SCHEMBL27570935 0.85 CACNA1B (0.39) CACNA1BMMP1MMP3MMP9TSHR
SCHEMBL6890733 0.85 HSD17B10 (0.47) ALDH1A1HSD17B10
SCHEMBL6897614 0.85 HSD17B10 (0.43) CACNA1BMMP1MMP3MMP9CTSK
SCHEMBL27538348 0.85 HSD17B10 (0.43) CACNA1BMMP1MMP3MMP9CTSK
SCHEMBL7656431 0.81 MC4R (0.31)
SCHEMBL6894683 0.78 MMP2 (0.39) MMP1MMP3MMP9ALDH1A1
SCHEMBL6898797 0.76 HTR1A (0.33) KDM4EALDH1A1HTR1AHSD17B10
SCHEMBL6899406 0.75 KDM4E (0.34) KDM4EALDH1A1HTR1AHSD17B10

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
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP disclosed