SCHEMBL3083589

SCHEMBL3083589

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.55
CTSD P07339 2/20 0.54
CTSE P14091 2/20 0.54
PGC P20142 2/20 0.54
SLC6A4 P31645 4/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 3/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
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
KCNH2 Q12809 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
SCHEMBL3073914 0.91 REN (0.44) RENCTSDCTSEPGCSLC6A4
SCHEMBL3064636 0.90 REN (0.45) RENCTSDCTSEPGC
SCHEMBL3084349 0.89 REN (0.42) RENCTSDCTSEPGCSLC6A4
SCHEMBL2934499 0.89 REN (0.49) RENCTSDCTSEPGCSLC6A4
SCHEMBL13404512 0.84 REN (0.65) RENCTSDCTSEPGCHTR1A
SCHEMBL3085347 0.84 REN (0.54) RENCTSDCTSEPGCSLC6A4
SCHEMBL3070444 0.79 REN (0.51) RENCTSDCTSEPGCCYP3A4
SCHEMBL2938316 0.78 REN (0.39) RENCTSDCTSEPGC
SCHEMBL2937594 0.78 REN (0.79) RENCTSDCTSEPGCSLC6A4
SCHEMBL13177123 0.78 REN (0.56) 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