SCHEMBL8434793

SCHEMBL8434793

CC1(C)Oc2ccc(C(F)(F)C(F)(F)F)cc2C(C(=O)NCCC#N)=C1O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.32
KMT2A Q03164 1/20 0.31
KCNA5 P22460 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
SCHEMBL8432607 0.82 SCN9A (0.32) SCN9AKCNA5
SCHEMBL10382727 0.78 CCNC (0.40) KMT2A
SCHEMBL6260243 0.77 SCN9A (0.30) SCN9A
SCHEMBL8435255 0.74
SCHEMBL8437316 0.73 ABCC9 (0.39) KMT2AKCNA5
SCHEMBL10382706 0.72 ALDH1A1 (0.32)
SCHEMBL8313859 0.71
SCHEMBL6267682 0.69
SCHEMBL6269204 0.69 SCN9A (0.34) SCN9A
SCHEMBL6271144 0.67

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-0702952-B1 BENZOPYRAN DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-12-08 EP disclosed
US-5646310-A HYPOTENSIVE AGENTS, POTASSIUM CHANNEL ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-07-08 US disclosed
EP-0702952-A1 BENZOPYRAN DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1996-03-27 EP disclosed