SCHEMBL2386864

SCHEMBL2386864

C[C@@H]1CN(C(=O)O)[C@](c2nc3cc(I)ccc3[nH]2)(C(C)(C)C)C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL2446043 0.84 HCRTR1 (0.32)
SCHEMBL1914291 0.81
SCHEMBL1914244 0.81
SCHEMBL934566 0.81 HCRTR1 (0.37)
SCHEMBL2454367 0.80 GABRA1 (0.31)
SCHEMBL1914053 0.78
SCHEMBL1914696 0.75
SCHEMBL1914048 0.75
SCHEMBL1914035 0.75
SCHEMBL1914369 0.75

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
WO-2011119853-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-29 WO disclosed
WO-2011119858-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-29 WO disclosed