SCHEMBL9996609

SCHEMBL9996609

CNCC(CC1CCCCC1)NC(=O)N1CCCC(C(C)(OCCNC(=O)OC)c2cccc(Cl)c2)C1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.77
CYP3A4 P08684 1/20 0.67

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
SCHEMBL9996214 1.00 REN (0.77) RENCYP3A4
SCHEMBL3615246 1.00 REN (0.77) RENCYP3A4
SCHEMBL3611860 0.94 REN (0.70) RENCYP3A4
SCHEMBL9996669 0.94 REN (0.70) RENCYP3A4
SCHEMBL3604830 0.94 REN (0.67) RENCYP3A4
SCHEMBL3600678 0.94 REN (0.67) RENCYP3A4
SCHEMBL9996444 0.89 REN (0.75) RENCYP3A4
SCHEMBL3606066 0.89 REN (0.75) RENCYP3A4
SCHEMBL9996264 0.89 REN (0.75) RENCYP3A4
SCHEMBL3611061 0.88 REN (0.61) RENCYP3A4

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
EP-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 EP disclosed