SCHEMBL4582354

SCHEMBL4582354

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)C(C)N)C[C@@H](O)[C@@H]3c3ccc(OCCCOc4ccccc4Cl)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.34
HRH1 P35367 3/20 0.33
HRH2 P25021 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
KCNH2 Q12809 4/20 0.31
CYP3A4 P08684 3/20 0.31
CYP2D6 P10635 3/20 0.31
CYP2C9 P11712 2/20 0.31
HTR4 Q13639 2/20 0.31
USP2 O75604 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
MLNR O43193 1/20 0.31
CACNA1F O60840 1/20 0.31
HTR3B O95264 1/20 0.31
HMGCR P04035 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL4582351 1.00 REN (0.34) RENHRH1HRH2HRH3KCNH2
SCHEMBL4583362 0.96 REN (0.34) RENHRH1HRH2HRH3KCNH2
SCHEMBL4583366 0.96 REN (0.34) RENHRH1HRH2HRH3KCNH2
SCHEMBL4583824 0.94 REN (0.33) RENHRH1HRH2HRH3KCNH2
SCHEMBL4583822 0.94 REN (0.33) RENHRH1HRH2HRH3KCNH2
SCHEMBL4584456 0.94 REN (0.33) RENPPARGPPARDPPARA
SCHEMBL4528639 0.92 REN (0.36) RENHRH3CYP3A4PPARGPPARD
SCHEMBL4582973 0.90 REN (0.44) RENCYP3A4
SCHEMBL4582978 0.90 REN (0.44) RENCYP3A4
SCHEMBL4583012 0.89 REN (0.37) RENPPARGPPARDPPARA

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-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed