SCHEMBL4757725

SCHEMBL4757725

[CH2]CCC(O)(c1cncc(Cl)c1-c1cccc(C(C)C)c1)C1CCCN(C(=O)c2ccc(CNC)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.41
CYP3A4 P08684 7/20 0.41
KMT2A Q03164 1/20 0.35

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
SCHEMBL3112304 1.00 REN (0.41) RENCYP3A4KMT2A
SCHEMBL3114574 0.90 REN (0.47) RENCYP3A4
SCHEMBL3113055 0.90 REN (0.47) RENCYP3A4
SCHEMBL4757727 0.89 REN (0.45) RENCYP3A4
SCHEMBL8156803 0.89 REN (0.55) RENCYP3A4
SCHEMBL13250066 0.89 REN (0.55) RENCYP3A4
SCHEMBL4757561 0.88 REN (0.40) RENCYP3A4KMT2A
SCHEMBL3115866 0.81 REN (0.57) RENCYP3A4
SCHEMBL3114688 0.81 REN (0.57) RENCYP3A4
SCHEMBL3120809 0.81 REN (0.57) RENCYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008124575-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed