SCHEMBL7951899

SCHEMBL7951899

COc1ccc2c(c1)NCC2C(=O)C(=O)N(CC1CCCCC1)[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
MAPT P10636 1/20 0.36
CACNA1B Q00975 2/20 0.36
ABCB1 P08183 1/20 0.36
KLK7 P49862 2/20 0.35
KLK5 Q9Y337 2/20 0.35
FOLH1 Q04609 1/20 0.34
KCNQ2 O43526 1/20 0.34
TPSAB1 Q15661 2/20 0.34
TPSD1 Q9BZJ3 2/20 0.34
TPSG1 Q9NRR2 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ACHE P22303 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34

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
SCHEMBL7951901 0.85 CTSL (0.32) MAPTCACNA1BCTSLMMP1MMP2
SCHEMBL7949581 0.69 CXCR4 (0.38) CA1CA2
SCHEMBL7938432 0.68 ABCB1 (0.61) HTRA1ITGB3ITGA2BMAPTABCB1
SCHEMBL30135128 0.68 MEN1 (0.49) HTRA1ITGB3ITGA2BMAPTABCB1
SCHEMBL7948016 0.67 POLB (0.38) MAPTKLK7MEN1KMT2AMMP3
SCHEMBL7982206 0.67 POLB (0.36) KLK7KMT2ACTSLMMP1MMP2
SCHEMBL8058852 0.66 TPSAB1 (0.43) MAPTCACNA1BFOLH1TPSAB1TPSD1
SCHEMBL7598385 0.66 TRPM8 (0.44) ITGB3ITGA2BMAPTABCB1KLK7
SCHEMBL5855814 0.65 HTT (0.49) ITGB3ITGA2BMAPTABCB1KLK7
SCHEMBL7596349 0.65 TPSAB1 (0.44) HTRA1ITGB3ITGA2BMAPTABCB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed