SCHEMBL4213137

SCHEMBL4213137

O=C(N[C@@H](CC1CCCCC1)C(=O)N1CCC2[C@H]1C(=O)CN2C(=O)c1ccccc1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.56
CTSS P25774 7/20 0.55
CTSL P07711 5/20 0.55
CTSV O60911 2/20 0.55
GPR132 Q9UNW8 1/20 0.44
HTRA1 Q92743 8/20 0.43
PKM P14618 1/20 0.42
CTSB P07858 1/20 0.42

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
SCHEMBL4213141 1.00 CTSK (0.56) CTSKCTSSCTSLCTSVGPR132
SCHEMBL4213145 1.00 CTSK (0.56) CTSKCTSSCTSLCTSVGPR132
SCHEMBL5942062 1.00 CTSK (0.56) CTSKCTSSCTSLCTSVGPR132
SCHEMBL4214766 0.90 CTSK (0.67) CTSKCTSSCTSLCTSVHTRA1
SCHEMBL4214768 0.90 CTSK (0.67) CTSKCTSSCTSLCTSVHTRA1
SCHEMBL5941431 0.90 CTSK (0.67) CTSKCTSSCTSLCTSVHTRA1
SCHEMBL4219845 0.90 CTSK (0.67) CTSKCTSSCTSLCTSVHTRA1
SCHEMBL4371052 0.88 CTSK (0.72) CTSKCTSSCTSLCTSVPKM
SCHEMBL5942128 0.88 CTSK (0.72) CTSKCTSSCTSLCTSVPKM
SCHEMBL4371066 0.88 CTSK (0.72) CTSKCTSSCTSLCTSVPKM

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 disclosed