SCHEMBL4043817

SCHEMBL4043817

O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1)Oc1ccoc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.39
CTSS P25774 4/20 0.39
CTSV O60911 2/20 0.39
KCNQ1 P51787 1/20 0.35
CTSK P43235 3/20 0.34
GPR132 Q9UNW8 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ELOVL6 Q9H5J4 1/20 0.33
NAMPT P43490 1/20 0.33
HPGD P15428 1/20 0.33
HCRTR2 O43614 1/20 0.33
FPR2 P25090 1/20 0.32
F12 P00748 2/20 0.32
TSHR P16473 1/20 0.32
HTRA1 Q92743 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
CPB2 Q96IY4 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
SCHEMBL4047756 0.90 CTSL (0.38) CTSLCTSSCTSVCTSKGPR132
SCHEMBL4043551 0.90 CTSL (0.41) CTSLCTSSCTSVCTSKGPR132
SCHEMBL4049970 0.90 CTSK (0.40) CTSLCTSSKCNQ1CTSKHSD17B10
SCHEMBL4044048 0.89 HSD17B10 (0.37) KCNQ1CTSKHSD17B10ELOVL6HCRTR2
SCHEMBL4040745 0.89 HSD17B10 (0.36) CTSLCTSSKCNQ1CTSKHSD17B10
SCHEMBL4042622 0.89 CTSS (0.40) CTSLCTSSCTSVCTSK
SCHEMBL4046543 0.88 KCNQ1 (0.38) CTSLCTSSCTSVKCNQ1GPR132
SCHEMBL4047616 0.87 CTSL (0.46) CTSLCTSSCTSVCTSK
SCHEMBL4044772 0.85 CTSV (0.39) CTSLCTSSCTSVCTSKGPR132
SCHEMBL4050085 0.84 CTSS (0.40) CTSLCTSSCTSVCTSKF12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed