SCHEMBL8303226

SCHEMBL8303226

COc1ccccc1CCOCCOc1ccc(N2CCNC[C@@H]2COc2ccc3ccccc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.56
▸ CYP3A4 P08684 3/20 0.41

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
SCHEMBL6724548 0.88 REN (0.71) RENCYP3A4
SCHEMBL6825432 0.88 REN (0.71) RENCYP3A4
SCHEMBL6727994 0.86 REN (0.60) REN
SCHEMBL6825128 0.86 REN (0.60) REN
SCHEMBL6724579 0.86 REN (0.54) REN
SCHEMBL6824940 0.86 REN (0.54) REN
SCHEMBL6721665 0.85 REN (0.54) RENCYP3A4
SCHEMBL7065291 0.85 REN (0.54) RENCYP3A4
SCHEMBL6728240 0.81 REN (0.61) RENCYP3A4
SCHEMBL6825278 0.81 REN (0.61) 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-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 — — WO disclosed
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