SCHEMBL14600129

SCHEMBL14600129

C[C@H](CSC(=O)CNC(=O)CCCO[N+](=O)[O-])C(=O)N1CCC[C@H]1C(=O)Oc1cccc(CO[N+](=O)[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 6/20 0.36
FKBP1A P62942 3/20 0.35
ACE P12821 4/20 0.34
ACE2 Q9BYF1 2/20 0.34
PRCP P42785 1/20 0.34
BCHE P06276 1/20 0.33
PRSS1 P07477 1/20 0.33
TMPRSS15 P98073 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
SCHEMBL14600132 0.98 TMEM97 (0.37) TMEM97FKBP1AACEACE2PRCP
SCHEMBL14600158 0.92 TMEM97 (0.37) TMEM97FKBP1AACEACE2
SCHEMBL14600159 0.90 TMEM97 (0.39) TMEM97FKBP1AACEACE2
SCHEMBL14600137 0.90 TMEM97 (0.36) TMEM97FKBP1AACEACE2
SCHEMBL14600119 0.88 ACE (0.40) TMEM97ACEACE2PRSS1TMPRSS15
SCHEMBL14600135 0.88 TMEM97 (0.36) TMEM97FKBP1AACEACE2
SCHEMBL14600165 0.86 ACE (0.37) TMEM97FKBP1AACEACE2
SCHEMBL14600164 0.86 ACE (0.37) TMEM97FKBP1AACEACE2
SCHEMBL14600154 0.86 TMEM97 (0.38) TMEM97FKBP1AACEPRSS1TMPRSS15
SCHEMBL14600172 0.85 TMEM97 (0.39) TMEM97FKBP1AACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169805-B2 Captopril derivatives NICOX S.A. (FR) 2007-01-30 US disclosed