SCHEMBL2790130

SCHEMBL2790130

COCCCn1c(C2CCCN(C(=O)C[C@@H](C)N(C(=O)OC(C)(C)C)c3ccc(N)cc3)C2)c(C)c2cccc(F)c21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
PROKR1 Q8TCW9 1/20 0.34
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR119 Q8TDV5 2/20 0.32
TRPV3 Q8NET8 1/20 0.31
REN P00797 6/20 0.31
CYP3A4 P08684 1/20 0.31
PPIB P23284 1/20 0.31
GFER P55789 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2792001 0.93 TRPV3 (0.33) ALOX5APFEN1PROKR1ALDH1A1TSHR
SCHEMBL2841338 0.87 SIRT2 (0.32) ALOX5APFEN1PROKR1GPR119TRPV3
SCHEMBL2835561 0.87 GFER (0.31) GPR119TRPV3GFER
SCHEMBL2835610 0.86 GFER (0.31) GPR119TRPV3GFER
SCHEMBL2789073 0.85 CACNA1G (0.31) TRPV3
SCHEMBL2837000 0.85 ALDH1A1 (0.36) PROKR1ALDH1A1KMT2AGPR119REN
SCHEMBL7890024 0.83 KLK5 (0.36) ALOX5APFEN1PROKR1ALDH1A1TSHR
SCHEMBL2813840 0.83 KLK5 (0.36) ALOX5APFEN1PROKR1ALDH1A1TSHR
SCHEMBL2813838 0.83 KLK5 (0.36) ALOX5APFEN1PROKR1ALDH1A1TSHR
SCHEMBL7900706 0.82 ALOX5AP (0.42) ALOX5APFEN1PROKR1GPR119TRPV3

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
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed