SCHEMBL13448582

SCHEMBL13448582

O=Cc1cc(Cl)c2c(Br)nn(CCCO)c2c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SCN5A Q14524 1/20 0.31
▸ SCN9A Q15858 1/20 0.31

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
SCHEMBL18509097 0.85 SCN5A (0.33) SCN5ASCN9A
SCHEMBL13132283 0.84 REN (0.35) —
SCHEMBL13448685 0.80 SCN5A (0.33) SCN5ASCN9A
SCHEMBL18509000 0.76 CYP4A11 (0.36) —
SCHEMBL13132310 0.69 REN (0.35) —
SCHEMBL13132275 0.68 REN (0.36) —
SCHEMBL18508757 0.67 SCN5A (0.33) SCN5ASCN9A
SCHEMBL18508738 0.66 SCN5A (0.44) SCN5ASCN9A
SCHEMBL13132282 0.65 REN (0.38) —
SCHEMBL13132262 0.61 PTGER4 (0.44) SCN9A

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-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 — — EP disclosed
EP-2168952-A1 MORPHOLINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 — — EP disclosed
Send feedback