SCHEMBL6824940

SCHEMBL6824940

COc1ccccc1OCCCCOc1ccc(N2CCNCC2COc2ccc3ccccc3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 10/20 0.54
▸ SLC6A2 P23975 5/20 0.46
▸ SLC6A4 P31645 5/20 0.46
▸ DRD2 P14416 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ SLC6A3 Q01959 3/20 0.43
▸ CYP2D6 P10635 1/20 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
SCHEMBL6724579 1.00 REN (0.54) RENSLC6A2SLC6A4DRD2ADRA1A
SCHEMBL6724774 0.89 REN (0.56) REN
SCHEMBL6825432 0.88 REN (0.71) REN
SCHEMBL6724548 0.88 REN (0.71) REN
SCHEMBL6721665 0.86 REN (0.54) REN
SCHEMBL7065291 0.86 REN (0.54) REN
SCHEMBL8303226 0.86 REN (0.56) REN
SCHEMBL6825128 0.82 REN (0.60) REN
SCHEMBL6727994 0.82 REN (0.60) REN
SCHEMBL6721597 0.82 REN (0.56) 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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