SCHEMBL4686191

SCHEMBL4686191

COCCCc1cc(C(OC)OC)c(Cl)cn1.COCCCc1cc(C=O)c(Cl)cn1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.34
CYP3A4 P08684 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL662543 0.89 ALDH1A1 (0.35) RENCYP3A4ALDH1A1
SCHEMBL665101 0.89 REN (0.36) RENCYP3A4ALDH1A1
SCHEMBL13154804 0.77 REN (0.35) RENCYP3A4ALDH1A1
SCHEMBL91265 0.70 REN (0.41) RENCYP3A4ALDH1A1
SCHEMBL8037049 0.70 SMN1; SMN2 (0.37) RENCYP3A4ALDH1A1
SCHEMBL662621 0.69 REN (0.35) RENCYP3A4
SCHEMBL662620 0.69 REN (0.35) RENCYP3A4
SCHEMBL78902 0.66 LMNA (0.41) RENCYP3A4ALDH1A1
SCHEMBL15525263 0.65 TDP1 (0.34) ALDH1A1
SCHEMBL661523 0.63 KDM4E (0.41) RENALDH1A1

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-1981847-A1 SECONDARY AMINES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2008-10-22 EP disclosed
WO-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 WO disclosed