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SCHEMBL8258752

SCHEMBL8258752

COCCCOc1cc(C(=O)N(C[C@@H]2CNCC2N(C)C(=O)[C@@H](OC)c2ccccc2)C(C)C)ccc1OC

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.74
▸ HTR1A P08908 2/20 0.69
▸ ADRA1D P25100 2/20 0.69
▸ HTR2A P28223 2/20 0.69
▸ ADRA1A P35348 2/20 0.69
▸ ADRA1B P35368 2/20 0.69
▸ HTR2B P41595 2/20 0.69
▸ KCNH2 Q12809 2/20 0.69

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
SCHEMBL3370479 0.91 REN (0.73) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3370472 0.91 REN (0.73) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL5614264 0.88 REN (0.71) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3371352 0.88 REN (0.71) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3369437 0.88 REN (0.71) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3369426 0.88 REN (0.71) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3371153 0.86 REN (0.72) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3371965 0.86 REN (0.72) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3369921 0.86 REN (0.72) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL13177141 0.86 REN (0.79) RENHTR1AADRA1DHTR2AADRA1A

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-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 — — WO disclosed