SCHEMBL3371045

SCHEMBL3371045

CCc1ccc(C(=O)N(C[C@@H]2CNC[C@H]2CN(C(=O)O[C@@H]2CCOC2)C2CC2)C(C)C)cc1OCCCOC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.55
ADRA1A P35348 3/20 0.54
KCNH2 Q12809 3/20 0.54
HTR1A P08908 2/20 0.54
ADRA1D P25100 2/20 0.54
HTR2A P28223 2/20 0.54
ADRA1B P35368 2/20 0.54
HTR2B P41595 2/20 0.54
CYP3A4 P08684 2/20 0.53
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
OPRM1 P35372 1/20 0.49
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49

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
SCHEMBL3375415 1.00 REN (0.55) RENADRA1AKCNH2HTR1AADRA1D
SCHEMBL3375729 0.96 REN (0.53) RENADRA1AKCNH2HTR1AADRA1D
SCHEMBL3372436 0.96 REN (0.53) RENADRA1AKCNH2HTR1AADRA1D
SCHEMBL3374341 0.96 REN (0.58) RENADRA1AKCNH2HTR1AADRA1D
SCHEMBL5608169 0.92 REN (0.65) RENADRA1AKCNH2HTR1AADRA1D
SCHEMBL8259266 0.92 REN (0.55) RENADRA1AKCNH2HTR1AADRA1D
SCHEMBL13104939 0.92 REN (0.65) RENADRA1AKCNH2HTR1AADRA1D
SCHEMBL3373242 0.92 REN (0.65) RENADRA1AKCNH2HTR1AADRA1D
SCHEMBL13105005 0.92 REN (0.56) RENADRA1AKCNH2HTR1AADRA1D
SCHEMBL8252553 0.88 REN (0.59) RENADRA1AKCNH2HTR1AADRA1D

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 claimed