SCHEMBL13448685

SCHEMBL13448685

OCCCn1nc(Br)c2c(Cl)cc(CO)cc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN5A Q14524 2/20 0.33
▸ SCN9A Q15858 2/20 0.33
▸ CSNK2A2 P19784 2/20 0.31
▸ CSNK2B P67870 2/20 0.31
▸ CSNK2A1 P68400 2/20 0.31
▸ CSNK2A3 Q8NEV1 2/20 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
SCHEMBL13132275 0.86 REN (0.36) —
SCHEMBL18508757 0.83 SCN5A (0.33) SCN5ASCN9ACSNK2A2CSNK2BCSNK2A1
SCHEMBL13448582 0.80 SCN5A (0.31) SCN5ASCN9A
SCHEMBL18509000 0.76 CYP4A11 (0.36) —
SCHEMBL13132308 0.70 REN (0.35) —
SCHEMBL18508899 0.67 OPRL1 (0.32) —
SCHEMBL18509097 0.67 SCN5A (0.33) SCN5ASCN9A
SCHEMBL13132282 0.65 REN (0.38) —
SCHEMBL18508729 0.63 SCN5A (0.46) SCN5ASCN9A
SCHEMBL13132266 0.62 REN (0.36) 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
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