SCHEMBL9199874

SCHEMBL9199874

[c]1ncccc1-c1cocn1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.33
CASP6 P55212 1/20 0.32
KCNK13 Q9HB14 1/20 0.31
F2RL1 P55085 1/20 0.30

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
SCHEMBL5183256 0.73 SCN9A (0.37) SCN9AKCNK13
SCHEMBL4909130 0.72
SCHEMBL155358 0.71 KDM4E (0.52)
SCHEMBL2340955 0.70
SCHEMBL3759300 0.68 MDM2 (0.31)
SCHEMBL359859 0.68 METAP2 (0.37)
SCHEMBL8096032 0.68 PPARA (0.37)
SCHEMBL1198354 0.67 CYP2A6 (0.37)
SCHEMBL22388750 0.67 SCN9A (0.37) SCN9AKCNK13F2RL1
SCHEMBL1925074 0.67 GOT1 (0.33)

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-0683772-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1995-11-29 EP disclosed
EP-0683772-A4 RETROVIRAL PROTEASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1995-09-27 EP disclosed