SCHEMBL3073914

SCHEMBL3073914

O=C(Oc1ccc2ccccc2c1)N(C[C@H]1CNC[C@@H]1Cc1ccccc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.44
CTSD P07339 2/20 0.43
CTSE P14091 2/20 0.43
PGC P20142 2/20 0.43
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
NR3C1 P04150 1/20 0.37
KCNH2 Q12809 2/20 0.37
RNF4 P78317 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2A P28223 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HTR2B P41595 1/20 0.36
GBA1 P04062 1/20 0.36

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
SCHEMBL3083589 0.91 REN (0.55) RENCTSDCTSEPGCSLC6A2
SCHEMBL3064636 0.90 REN (0.45) RENCTSDCTSEPGC
SCHEMBL3084349 0.90 REN (0.42) RENCTSDCTSEPGCSLC6A2
SCHEMBL13177123 0.86 REN (0.56) RENCTSDCTSEPGCKCNH2
SCHEMBL2934499 0.80 REN (0.49) RENCTSDCTSEPGCSLC6A2
SCHEMBL3070444 0.80 REN (0.51) RENCTSDCTSEPGCKCNH2
SCHEMBL2938316 0.79 REN (0.39) RENCTSDCTSEPGC
SCHEMBL8263496 0.77 REN (0.57) RENCTSDCTSEPGCKCNH2
SCHEMBL13404512 0.75 REN (0.65) RENCTSDCTSEPGCKCNH2
SCHEMBL13404514 0.75 REN (0.53) RENCTSDCTSEPGCSLC6A2

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