SCHEMBL6825432

SCHEMBL6825432

COc1ccccc1COCCCOc1ccc(N2CCNCC2COc2ccc3ccccc3c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.71
▸ CYP3A4 P08684 2/20 0.52

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 1.00 REN (0.71) RENCYP3A4
SCHEMBL6728240 0.92 REN (0.61) RENCYP3A4
SCHEMBL6825278 0.92 REN (0.61) RENCYP3A4
SCHEMBL6825128 0.92 REN (0.60) REN
SCHEMBL6727994 0.92 REN (0.60) REN
SCHEMBL6721761 0.91 REN (0.64) REN
SCHEMBL6724750 0.89 REN (0.62) RENCYP3A4
SCHEMBL6724774 0.88 REN (0.56) REN
SCHEMBL8303226 0.88 REN (0.56) RENCYP3A4
SCHEMBL6920750 0.88 REN (0.55) REN

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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