SCHEMBL8069849

SCHEMBL8069849

CC(C)[C@H](N)C(=O)N(C(=O)OC(C)(C)C)C(C)c1nc2cc(F)ccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRA6 Q16445 1/20 0.36
AAK1 Q2M2I8 3/20 0.35
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
SCN10A Q9Y5Y9 10/20 0.34
GRM2 Q14416 1/20 0.32
JAK2 O60674 2/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 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
SCHEMBL13911523 0.71 ALPL (0.45) AAK1ALPLALPIALPGSCN10A
SCHEMBL8071333 0.69 ALDH1A1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8069847 0.69 PRCP (0.42) AAK1
SCHEMBL8071556 0.69 ALPL (0.49) AAK1ALPLALPIALPGSCN10A
SCHEMBL6471271 0.69 ALPL (0.49) AAK1ALPLALPIALPGSCN10A
SCHEMBL8071559 0.69 ALPL (0.49) AAK1ALPLALPIALPGSCN10A
SCHEMBL8060767 0.68 ALOX5 (0.53)
SCHEMBL8071496 0.67 PPARA (0.40)
SCHEMBL8076380 0.67 HTT (0.40)
SCHEMBL8328219 0.66 KMT2A (0.49) AAK1

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-0775696-B1 AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD KUMIAI CHEMICAL INDUSTRY CO (JP) 2000-07-19 EP disclosed
EP-0775696-A1 AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD KumaiI Chemical Industry Co., Ltd. (JP) 1997-05-28 EP disclosed