SCHEMBL14600149

SCHEMBL14600149

CC(N)C(=O)SC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)Oc1cccc(CO[N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.38
TMEM97 Q5BJF2 3/20 0.37
PRSS1 P07477 1/20 0.34
TMPRSS15 P98073 1/20 0.34
ACE P12821 4/20 0.34
SPHK2 Q9NRA0 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34

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
SCHEMBL14600172 0.91 TMEM97 (0.39) FKBP1ATMEM97ACE
SCHEMBL14600154 0.91 TMEM97 (0.38) FKBP1ATMEM97PRSS1TMPRSS15ACE
SCHEMBL14600158 0.88 TMEM97 (0.37) FKBP1ATMEM97ACE
SCHEMBL14600159 0.87 TMEM97 (0.39) FKBP1ATMEM97ACE
SCHEMBL14600165 0.86 ACE (0.37) FKBP1ATMEM97ACE
SCHEMBL14600164 0.86 ACE (0.37) FKBP1ATMEM97ACE
SCHEMBL14600137 0.85 TMEM97 (0.36) FKBP1ATMEM97ACE
SCHEMBL14600150 0.85 FKBP1A (0.39) FKBP1ATMEM97ACE
SCHEMBL14600135 0.85 TMEM97 (0.36) FKBP1ATMEM97ACE
SCHEMBL14600069 0.85 ACE (0.42) TMEM97PRSS1TMPRSS15ACE

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