SCHEMBL8972073

SCHEMBL8972073

CCOC(=O)[C@@H]1CC(NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CN1C(=O)[C@H](C)N(C(=O)OCC(Cl)(Cl)Cl)[C@@H](CCc1ccccc1)C(=O)OCC

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
ACE P12821 2/20 0.34
ENPP2 Q13822 1/20 0.33

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
SCHEMBL11001187 0.78 ACE (0.41) ACE
SCHEMBL8971422 0.75 ACE (0.54) ACE
Hydrochloric Acid SCHEMBL10656556 0.74 ACE (0.53) ACE
Hydrochloric Acid SCHEMBL8971334 0.74 ACE (0.53) ACE
SCHEMBL8972536 0.73 ACE (0.46) ACE
SCHEMBL11102007 0.71 SMN1; SMN2 (0.41) ACE
SCHEMBL8971348 0.70 SMN1; SMN2 (0.42) ACE
SCHEMBL8971352 0.70 SMN1; SMN2 (0.42) ACE
SCHEMBL10602182 0.69 ACE (0.40) ACE
SCHEMBL11197520 0.68 ACE (0.53) 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 3 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 disclosed
US-4749698-A Antihypertensive derivatives RORER PHARMACEUTICAL CORPORATION (US) 1988-06-07 US disclosed
EP-0175266-A2 Antihypertensive derivatives RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1986-03-26 EP disclosed