SCHEMBL7056820

SCHEMBL7056820

Cc1nn(-c2ccc(F)cc2)cc1OC(=O)N(C)c1ccc(OCC(C)(C)C)c(C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.47
AR P10275 6/20 0.39
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35

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
Water SCHEMBL6052499 0.87 XDH (0.47) XDHARNPC1LMNARAB9A
SCHEMBL6052301 0.87 XDH (0.47) XDHARNPC1LMNARAB9A
SCHEMBL7058149 0.84 XDH (0.47) XDHAR
SCHEMBL6052533 0.80 XDH (0.47) XDHAR
SCHEMBL6052642 0.78 XDH (0.48) XDHAR
SCHEMBL6052193 0.78 XDH (0.45) XDHAR
SCHEMBL6052591 0.72 XDH (0.47) XDH
SCHEMBL6052205 0.72 XDH (0.63) XDHAR
SCHEMBL6052373 0.72 XDH (0.47) XDHNPC1RAB9A
SCHEMBL6052143 0.71 XDH (0.57) XDHARNPC1RAB9A

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-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP claimed