SCHEMBL9875941

SCHEMBL9875941

COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.59
▸ ECE1 P42892 1/20 0.59
▸ REN P00797 6/20 0.55
▸ ALDH1A1 P00352 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ ACE2 Q9BYF1 1/20 0.52
▸ HTR1D P28221 2/20 0.51
▸ HTR2C P28335 2/20 0.51
▸ HTR1E P28566 2/20 0.51
▸ HTR2B P41595 2/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ HTR3A P46098 1/20 0.51

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
SCHEMBL27342814 0.89 REN (0.56) MMEECE1RENALDH1A1THRB
Bromide SCHEMBL27422846 0.88 REN (0.58) MMEECE1REN
Triletide SCHEMBL27342203 0.88 REN (0.68) MMEECE1RENALDH1A1THRB
Triletide SCHEMBL29403076 0.88 REN (0.68) MMEECE1RENALDH1A1THRB
Triletide SCHEMBL29387766 0.88 REN (0.68) MMEECE1RENALDH1A1THRB
Hydrochloric Acid SCHEMBL27341574 0.85 REN (0.62) REN
SCHEMBL27343931 0.85 MME (0.61) MMEECE1RENALDH1A1
SCHEMBL27343925 0.85 MME (0.61) MMEECE1RENALDH1A1
SCHEMBL7386111 0.85 REN (0.48) MMEECE1RENHTR1DHTR2C
SCHEMBL7380911 0.85 ITGB2 (0.51) MMEECE1RENHTR1DHTR2C

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 4 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
EP-0212903-A2 Polypeptide derivatives containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1987-03-04 — — EP disclosed
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