SCHEMBL7861874

SCHEMBL7861874

CCCC(C)Oc1ccc(-n2cc(C(=O)OCC)cn2)cc1C#N

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.52
SCN9A Q15858 1/20 0.49

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
SCHEMBL7862862 0.92 XDH (0.53) XDHSCN9A
SCHEMBL7860399 0.89 XDH (0.64) XDH
SCHEMBL7861768 0.87 XDH (0.54) XDHSCN9A
SCHEMBL7865160 0.85 XDH (0.58) XDHSCN9A
SCHEMBL7865239 0.85 XDH (0.56) XDHSCN9A
SCHEMBL5415067 0.85 XDH (0.58) XDHSCN9A
SCHEMBL7865106 0.83 XDH (0.59) XDHSCN9A
SCHEMBL7861825 0.83 XDH (0.56) XDHSCN9A
SCHEMBL7861821 0.83 XDH (0.56) XDHSCN9A
SCHEMBL7860397 0.83 XDH (0.58) XDHSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0936217-B1 1-PHENYLPYRAZOLE COMPOUNDS AND MEDICINAL APPLICATION THEREOF WELFIDE CORP (JP) 2001-11-07 EP disclosed
US-6015829-A 1-phenylpyrazole compounds and medicinal application thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-01-18 US disclosed
EP-0936217-A1 1-PHENYLPYRAZOLE COMPOUNDS AND MEDICINAL APPLICATION THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-08-18 EP disclosed