SCHEMBL4047756

SCHEMBL4047756

O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1)Oc1ccoc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.38
CTSS P25774 3/20 0.38
CTSV O60911 2/20 0.38
GPR132 Q9UNW8 1/20 0.36
CPB2 Q96IY4 1/20 0.35
HTRA1 Q92743 1/20 0.34
CTSK P43235 2/20 0.34
FKBP1A P62942 1/20 0.34
NAMPT P43490 1/20 0.33

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
SCHEMBL4048306 0.90 CTSK (0.38) CTSLCTSSCTSK
SCHEMBL4043817 0.90 CTSL (0.39) CTSLCTSSCTSVGPR132CPB2
SCHEMBL4049268 0.89 SMYD3 (0.35) CTSLCTSSCTSKFKBP1A
SCHEMBL4047173 0.89 SMYD3 (0.35) GPR132FKBP1A
SCHEMBL4045926 0.88 GPR132 (0.36) CTSLCTSSCTSVGPR132CPB2
SCHEMBL4043551 0.88 CTSL (0.41) CTSLCTSSCTSVGPR132CPB2
SCHEMBL4044772 0.87 CTSV (0.39) CTSLCTSSCTSVGPR132CPB2
SCHEMBL4047616 0.84 CTSL (0.46) CTSLCTSSCTSVCTSK
SCHEMBL4044172 0.83 CTSS (0.36) CTSLCTSSCTSVGPR132CPB2
SCHEMBL4050085 0.82 CTSS (0.40) CTSLCTSSCTSVHTRA1CTSK

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