SCHEMBL7048968

SCHEMBL7048968

CCCOC(=O)[C@H]1CCCN1C(=O)CCCCC(=O)N1CCC[C@@H]1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
ACE2 Q9BYF1 4/20 0.47
RAB9A P51151 1/20 0.46
FKBP1A P62942 3/20 0.44
REN P00797 1/20 0.43

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
SCHEMBL6883802 0.95 FKBP1A (0.47) FKBP1A
SCHEMBL5492839 0.95 FKBP1A (0.47) FKBP1A
SCHEMBL5497946 0.95 FKBP1A (0.47) FKBP1A
SCHEMBL6877311 0.89 ACE (0.52) ACEACE2RAB9AFKBP1AREN
SCHEMBL5495829 0.89 ACE (0.52) ACEACE2RAB9AFKBP1AREN
SCHEMBL5495836 0.89 ACE (0.52) ACEACE2RAB9AFKBP1AREN
SCHEMBL5497995 0.88 FKBP1A (0.49) ACEL3MBTL1ACE2FKBP1A
SCHEMBL5497998 0.88 FKBP1A (0.49) ACEL3MBTL1ACE2FKBP1A
SCHEMBL6883743 0.88 FKBP1A (0.49) ACEL3MBTL1ACE2FKBP1A
SCHEMBL16116973 0.85 SPHK1 (0.48) ACEL3MBTL1ACE2FKBP1A

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-1458680-A1 PRODRUGS TO D-PROLINES F. Hoffmann-La Roche AG (CH) 2004-09-22 EP claimed
WO-2003051836-A1 PRODRUGS TO D-PROLINES F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 WO claimed