SCHEMBL4759036

SCHEMBL4759036

Cc1cc(C)[n+]([O-])c(N)c1C[AsH]

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL317224 0.82 TSHR (0.34) TSHR
SCHEMBL317223 0.81 TSHR (0.33) TSHR
SCHEMBL1744844 0.67 TSHR (0.34) TSHR
SCHEMBL7360415 0.64 TSHR (0.35) TSHR
SCHEMBL8248277 0.61 TSHR (0.37) TSHR
SCHEMBL7364139 0.60 TSHR (0.32) TSHR
SCHEMBL11325482 0.57 TSHR (0.41) TSHR
SCHEMBL667047 0.56 TSHR (0.57) TSHR
SCHEMBL11956562 0.56 TSHR (0.39) TSHR
SCHEMBL11956563 0.56 TSHR (0.39) TSHR

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-1973886-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-01 EP claimed
WO-2007079163-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 WO claimed