SCHEMBL2934499

SCHEMBL2934499

O=C(Oc1ccc2occc2c1)N(C[C@H]1CNC[C@@H]1Cc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.49
CTSD P07339 2/20 0.48
CTSE P14091 2/20 0.48
PGC P20142 2/20 0.48
MRGPRX4 Q96LA9 1/20 0.38
SLC6A4 P31645 2/20 0.36
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
HTR2B P41595 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL2938316 0.90 REN (0.39) RENCTSDCTSEPGCMRGPRX4
SCHEMBL3083589 0.89 REN (0.55) RENCTSDCTSEPGCSLC6A4
SCHEMBL2936615 0.87 REN (0.46) RENCTSDCTSEPGCMRGPRX4
SCHEMBL13404516 0.85 REN (0.59) RENCTSDCTSEPGCHTR1A
SCHEMBL3073914 0.80 REN (0.44) RENCTSDCTSEPGCSLC6A4
SCHEMBL3064636 0.79 REN (0.45) RENCTSDCTSEPGCMRGPRX4
SCHEMBL3084349 0.78 REN (0.42) RENCTSDCTSEPGCSLC6A4
SCHEMBL3085347 0.77 REN (0.54) RENCTSDCTSEPGCSLC6A4
SCHEMBL13404515 0.76 REN (0.49) RENCTSDCTSEPGCHTR1A
SCHEMBL13404557 0.76 REN (0.48) RENCTSDCTSEPGCHTR1A

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-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP claimed