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SCHEMBL3375174

SCHEMBL3375174

COCCCOc1cc(C(=O)N(C[C@@H]2CN(C(=O)O)C[C@H]2CN(C)C(=O)[C@H]2CC[C@@H](OC)CC2)C(C)C)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.55
▸ HTR1A P08908 2/20 0.54
▸ ADRA1D P25100 2/20 0.54
▸ HTR2A P28223 2/20 0.54
▸ ADRA1A P35348 2/20 0.54
▸ ADRA1B P35368 2/20 0.54
▸ HTR2B P41595 2/20 0.54
▸ KCNH2 Q12809 2/20 0.54

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
SCHEMBL3438593 0.91 REN (0.52) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3371548 0.91 REN (0.52) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3371545 0.91 REN (0.52) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3374717 0.89 REN (0.67) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3374825 0.89 REN (0.67) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL13104769 0.89 REN (0.67) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3373270 0.87 REN (0.55) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3372260 0.85 REN (0.64) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3372043 0.84 REN (0.72) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3372050 0.84 REN (0.72) 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
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 — — EP disclosed