SCHEMBL2936615

SCHEMBL2936615

O=C(Oc1ccc2occc2c1)N(Cc1ccc(Cl)cc1)C[C@H]1CNC[C@@H]1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.46
CTSD P07339 2/20 0.43
CTSE P14091 2/20 0.43
PGC P20142 2/20 0.43
CHRM5 P08912 1/20 0.39
SLC6A4 P31645 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
FFAR2 O15552 1/20 0.36
PTGES O14684 1/20 0.35
KCNH2 Q12809 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
GHSR Q92847 1/20 0.34

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
SCHEMBL2934499 0.87 REN (0.49) RENCTSDCTSEPGCSLC6A4
SCHEMBL13404557 0.85 REN (0.48) RENCTSDCTSEPGCCHRM5
SCHEMBL2938316 0.78 REN (0.39) RENCTSDCTSEPGCMRGPRX4
SCHEMBL13404516 0.76 REN (0.59) RENCTSDCTSEPGCKCNH2
SCHEMBL3083589 0.75 REN (0.55) RENCTSDCTSEPGCSLC6A4
SCHEMBL2931136 0.75 REN (0.54) RENCTSDCTSEPGC
SCHEMBL2931137 0.75 REN (0.54) RENCTSDCTSEPGC
SCHEMBL2935535 0.72 REN (0.51) RENCTSDCTSEPGCKCNH2
SCHEMBL2935537 0.72 REN (0.51) RENCTSDCTSEPGCKCNH2
SCHEMBL2929364 0.71 REN (0.52) RENCTSDCTSEPGCSLC6A4

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