Sugi Predict

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SCHEMBL9876509

SCHEMBL9876509

CC(C)C[C@H](C[C@H](OC(=O)C(F)(F)F)[C@@H](N)CC1CCCCC1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 6/20 0.45
▸ MMP2 P08253 2/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ CPB1 P15086 1/20 0.43
▸ CPB2 Q96IY4 1/20 0.43
▸ KISS1R Q969F8 3/20 0.43
▸ HTRA1 Q92743 1/20 0.42

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
Hydrochloric Acid SCHEMBL10631288 0.82 REN (0.61) RENHTRA1
SCHEMBL9876326 0.80 CA1 (0.50) RENMMP2MMP1MMP3CPB1
SCHEMBL10459436 0.77 REN (0.47) RENMMP2MMP1MMP3
SCHEMBL9876475 0.76 REN (0.63) REN
SCHEMBL9874408 0.75 REN (0.49) RENMMP2MMP1MMP3CPB1
SCHEMBL9876474 0.74 REN (0.59) RENHTRA1
SCHEMBL9876035 0.72 REN (0.59) REN
SCHEMBL10460175 0.72 REN (0.53) REN
Hydrochloric Acid SCHEMBL9875758 0.71 ANPEP (0.61) CPB1CPB2
SCHEMBL9875747 0.71 MAPT (0.61) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992562-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1991-02-12 — — US disclosed
US-4948913-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1990-08-14 — — US disclosed
US-4729985-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1988-03-08 — — US disclosed