SCHEMBL6029328

SCHEMBL6029328

CC(C)C(=O)N1CCC(S)[C@@]1(C(=O)OCCCO[N+](=O)[O-])C(=O)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 4/20 0.34
HRH1 P35367 4/20 0.34
KMT2A Q03164 1/20 0.30

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
SCHEMBL5570276 0.74
SCHEMBL5569277 0.67 KMT2A (0.37) KMT2A
SCHEMBL3313116 0.64 CTSK (0.44)
SCHEMBL3307583 0.64 CYP1A2 (0.39)
SCHEMBL13396343 0.62 CTSL (0.46) KMT2A
SCHEMBL14573973 0.61 CTSK (0.39) KMT2A
SCHEMBL4433837 0.60 ITGB3 (0.39)
SCHEMBL3307162 0.60 CYP1A2 (0.40)
SCHEMBL3307159 0.60 CYP1A2 (0.40)
SCHEMBL13396534 0.60 CTSK (0.34)

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-1626955-A1 CAPTOPRIL DERIVATIVES Nicox S.A. (FR) 2006-02-22 EP disclosed
WO-2004106300-A1 CAPTOPRIL DERIVATIVES NICOX S.A. (FR) 2004-12-09 WO disclosed