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Sugi Predict / Compounds / SCHEMBL8971422

SCHEMBL8971422

SCHEMBL8971422

C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CC(NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C[C@H]1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.54
▸ DPP4 P27487 1/20 0.52
▸ PREP P48147 1/20 0.52
▸ DPP8 Q6V1X1 1/20 0.52
▸ DPP9 Q86TI2 1/20 0.52

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 SCHEMBL8971334 0.99 ACE (0.53) ACEDPP4PREPDPP8DPP9
Hydrochloric Acid SCHEMBL10656556 0.99 ACE (0.53) ACEDPP4PREPDPP8DPP9
SCHEMBL8970636 0.84 ACE (0.56) ACEDPP4PREPDPP8DPP9
SCHEMBL8970623 0.84 ACE (0.56) ACEDPP4PREPDPP8DPP9
SCHEMBL10653626 0.82 ACE (0.54) ACEDPP4PREPDPP8DPP9
SCHEMBL10653617 0.82 ACE (0.54) ACEDPP4PREPDPP8DPP9
SCHEMBL8971539 0.82 CA1 (0.40) —
SCHEMBL8971526 0.81 CA1 (0.40) —
SCHEMBL11027958 0.80 ACE (0.60) ACE
SCHEMBL11027924 0.80 ACE (0.60) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0175266-B1 Antihypertensive derivatives RHONE POULENC RORER PHARMA (US) 1996-03-20 — — EP claimed
US-4749698-A Antihypertensive derivatives RORER PHARMACEUTICAL CORPORATION (US) 1988-06-07 — — US claimed