SCHEMBL2454367

SCHEMBL2454367

C[C@@H]1CN(C(=O)O)[C@](c2nc3cc(-c4ccc(C#C[Si](C)(C)C)cc4)ccc3[nH]2)(C(C)(C)C)C1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRA6 Q16445 1/20 0.31

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 0.86 HCRTR1 (0.32)
SCHEMBL2452086 0.81
SCHEMBL2387383 0.75 GPR119 (0.33)
SCHEMBL2446217 0.73 HTR2B (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1914291 0.70
SCHEMBL2450982 0.69 CYP2C9 (0.30)
SCHEMBL14849166 0.69 GABRG2 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16767137 0.69 CDC7 (0.34)
SCHEMBL2482178 0.69
SCHEMBL2413611 0.68

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