SCHEMBL4755820

SCHEMBL4755820

COCCCc1c[nH]c2ccc(C(C)[C@@H](C[C@H](NC(=O)[C@@H](N)C(C)C)[C@@H](O)C[C@H](C(=O)NCC3CC3)C(C)C)C(C)C)cc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.35
HTR1D P28221 3/20 0.34
HTR1B P28222 3/20 0.34
HTR4 Q13639 1/20 0.33
SOS1 Q07889 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CTSC P53634 1/20 0.32
PTGS2 P35354 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
SPR P35270 1/20 0.31
NMBR P28336 1/20 0.31

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
SCHEMBL4754633 0.90 CTSD (0.33) RENHTR1DHTR1BHTR4ALDH1A1
SCHEMBL4756494 0.87 REN (0.34) REN
SCHEMBL4757259 0.79 REN (0.36) REN
SCHEMBL4756814 0.78 GSK3B (0.33) RENALDH1A1
SCHEMBL1047567 0.78 HTR1D (0.39) HTR1DHTR1BALDH1A1MTNR1AMTNR1B
SCHEMBL3769416 0.77 HTR1D (0.38) RENHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL4539260 0.77 HTR1D (0.38) RENHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL1049891 0.75 MTNR1A (0.35) ALDH1A1MTNR1AMTNR1BPTGS2TRPV1
SCHEMBL5050472 0.75 HTR1D (0.35) HTR1DHTR1BALDH1A1MTNR1AMTNR1B
SCHEMBL3769452 0.74 REN (0.33) RENHTR1DHTR1BSPR

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-1911762-A1 Amino alcohols and their use as renin inhibitors Speedel Experimenta AG (CH) 2008-04-16 EP disclosed