SCHEMBL7411308

SCHEMBL7411308

C[C@@H]1C(=O)N(c2nccs2)[C@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)[C@H]12

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41

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
SCHEMBL7407188 1.00 NPC1 (0.41) NPC1
SCHEMBL7410695 0.80 L3MBTL1 (0.45)
SCHEMBL7406898 0.80 L3MBTL1 (0.45)
SCHEMBL7412072 0.78 L3MBTL1 (0.41)
SCHEMBL7408913 0.78
SCHEMBL7411267 0.78 L3MBTL1 (0.48)
SCHEMBL7408082 0.78
SCHEMBL7410495 0.77 L3MBTL1 (0.44) NPC1
SCHEMBL7413206 0.77 UCHL1 (0.40)
SCHEMBL7412111 0.77 ALDH1A1 (0.42)

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-0973775-A1 PYROLOPYRROLONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-01-26 EP disclosed
WO-1998043975-A1 PYROLOPYRROLONE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-10-08 WO disclosed