SCHEMBL4051356

SCHEMBL4051356

CC(C)CNC(=O)ON1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.48
HPGDS O60760 2/20 0.42
CTSS P25774 5/20 0.40
CTSB P07858 3/20 0.40
ACKR3 P25106 3/20 0.40
CTSL P07711 5/20 0.38
CHRNA7 P36544 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36

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
SCHEMBL4043626 0.92 CTSK (0.48) CTSKHPGDSCTSSCTSBACKR3
SCHEMBL4040699 0.88 CTSK (0.55) CTSKHPGDSCTSSCTSBACKR3
SCHEMBL4044971 0.88 CTSK (0.50) CTSKHPGDSCTSSCTSBACKR3
SCHEMBL4043168 0.88 CTSK (0.48) CTSKHPGDSCTSSCTSBACKR3
SCHEMBL4046312 0.85 CTSK (0.52) CTSKHPGDSCTSSCTSBCTSL
SCHEMBL4042777 0.83 CTSK (0.57) CTSKHPGDSCTSSCTSBACKR3
SCHEMBL4043391 0.83 CTSK (0.55) CTSKHPGDSCTSSCTSBACKR3
SCHEMBL4048979 0.83 CTSK (0.55) CTSKHPGDSCTSSCTSBACKR3
SCHEMBL4039384 0.83 CTSK (0.56) CTSKHPGDSCTSSCTSBACKR3
SCHEMBL4040231 0.83 CTSK (0.56) CTSKHPGDSCTSSCTSBACKR3

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