SCHEMBL4043929

SCHEMBL4043929

COc1ccc2oc(OC(=O)NC(CC3CC3)C(=O)N3CCC4C3C(=O)CN4S(=O)(=O)c3cccc[n+]3[O-])cc2c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.32
CTSL P07711 2/20 0.32
CTSS P25774 2/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
TAS1R3 Q7RTX0 2/20 0.30
TAS1R1 Q7RTX1 2/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL4042300 0.93 CTSK (0.37) CTSVCTSLCTSSTAS1R3TAS1R1
SCHEMBL4045162 0.93 TAS1R3 (0.34) TAS1R3TAS1R1CTSK
SCHEMBL4049248 0.91 CTSV (0.31) CTSVCTSLCTSSTAS1R3TAS1R1
SCHEMBL6232429 0.90 TAS1R3 (0.41) CTSVCTSLCTSSHTR1ADRD2
SCHEMBL4043593 0.90 USP2 (0.33) TAS1R3TAS1R1CTSK
SCHEMBL4048699 0.86 CTSK (0.40) CTSVCTSLCTSSCTSK
SCHEMBL4041781 0.85 CTSK (0.39) CTSVCTSLCTSSTAS1R3TAS1R1
SCHEMBL4047816 0.85 CTSK (0.33) CTSVCTSLCTSSCTSK
SCHEMBL4043537 0.84 PIK3CG (0.37)
SCHEMBL4042354 0.84 TAS1R3 (0.37) CTSVCTSLCTSSTAS1R3TAS1R1

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