SCHEMBL7699418

SCHEMBL7699418

O=C(O)Nc1cc(N2CC[C@@H](OC3CCCCO3)C2)c(-c2ccc(F)cc2)cc1NC(=O)CC(=O)c1cccc(-n2ccnc2)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.34
CTSS P25774 3/20 0.33
CTSV O60911 2/20 0.33
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
CTSK P43235 2/20 0.33
ABL1 P00519 1/20 0.33
MGLL Q99685 1/20 0.33
PPARA Q07869 2/20 0.32
PPARD Q03181 1/20 0.32
NOS2 P35228 1/20 0.32
SLC6A9 P48067 1/20 0.32
CCKBR P32239 1/20 0.32
HSD11B1 P28845 1/20 0.32
ADH5 P11766 3/20 0.31

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
SCHEMBL7143444 0.92 KDM4D (0.35) CCR3CTSSCTSVCTSLCTSB
SCHEMBL7141841 0.89 KDM4D (0.35) CCR3CTSSCTSVCTSLCTSB
SCHEMBL7145195 0.85 KDM4D (0.34) CCR3CTSSCTSVCTSLCTSB
SCHEMBL7138171 0.78 KDM4D (0.37) CCR3CTSSCTSVCTSLCTSB
SCHEMBL7703665 0.76 VCP (0.36) CCR3
SCHEMBL7138021 0.75 KDM4D (0.35) CCR3ABL1HSD11B1
SCHEMBL7703659 0.74 UCHL1 (0.36) CCR3
SCHEMBL7144093 0.74 KDM4D (0.36) CCR3ABL1CCKBRHSD11B1
SCHEMBL7141955 0.73 KDM4D (0.36) CCR3ABL1CCKBR
SCHEMBL7146597 0.71 ADH5 (0.41) ABL1ADH5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224174-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029011-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed