SCHEMBL14549591

SCHEMBL14549591

CCCN1CC2(CCC(N(C(=O)C3CCC(C)CC3)c3cc(C4=CCCCC4)sc3C(=O)O)CC2)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.38

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
SCHEMBL2106544 0.95 NR1I2 (0.37) NR1I2
SCHEMBL2106547 0.95 NR1I2 (0.37) NR1I2
SCHEMBL2107011 0.95 NR1I2 (0.37) NR1I2
SCHEMBL2106545 0.95 NR1I2 (0.37) NR1I2
SCHEMBL4954249 0.90 NR1I2 (0.40) NR1I2
SCHEMBL2611970 0.90 NR1I2 (0.40) NR1I2
SCHEMBL6014327 0.90 NR1I2 (0.40) NR1I2
SCHEMBL2107232 0.83 NR1I2 (0.33) NR1I2
SCHEMBL2105410 0.82 NR1I2 (0.38) NR1I2
SCHEMBL2105407 0.82 NR1I2 (0.38) NR1I2

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-2543664-A1 Compounds and methods for the treatment or prevention of flavivirus infections Virochem Pharma Inc. (CA) 2013-01-09 EP disclosed