SCHEMBL3064636

SCHEMBL3064636

O=C(Oc1ccc2ccccc2c1)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.45
ALOX5 P09917 3/20 0.43
CTSD P07339 2/20 0.41
CTSE P14091 2/20 0.41
PGC P20142 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
NOX1 Q9Y5S8 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
PTGES O14684 1/20 0.37

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 0.90 REN (0.44) RENCTSDCTSEPGC
SCHEMBL3084349 0.90 REN (0.42) RENCTSDCTSEPGCNPC1
SCHEMBL3083589 0.90 REN (0.55) RENCTSDCTSEPGC
SCHEMBL8263496 0.87 REN (0.57) RENALOX5CTSDCTSEPGC
SCHEMBL2938316 0.79 REN (0.39) RENCTSDCTSEPGCMRGPRX4
SCHEMBL2934499 0.79 REN (0.49) RENCTSDCTSEPGCMRGPRX4
SCHEMBL3070444 0.79 REN (0.51) RENCTSDCTSEPGC
SCHEMBL13177123 0.77 REN (0.56) RENALOX5CTSDCTSEPGC
SCHEMBL13404514 0.76 REN (0.53) RENALOX5CTSDCTSEPGC
SCHEMBL13404512 0.74 REN (0.65) RENCTSDCTSEPGC

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