SCHEMBL11287698

SCHEMBL11287698

CC(C)C[C@H](C(=O)N(N)CC(=O)O)N(C)C(=O)[C@@H]1CCCN1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.36
GLI1 P08151 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
SCHEMBL11663943 0.83 SCN4A (0.41) SCN4AGLI1
SCHEMBL14508102 0.81 SCN4A (0.41) SCN4AGLI1
SCHEMBL12214819 0.81 SCN4A (0.41) SCN4AGLI1
SCHEMBL14492967 0.80 SCN4A (0.40) SCN4AGLI1
SCHEMBL14492971 0.80 SCN4A (0.40) SCN4AGLI1
SCHEMBL12214823 0.79 SCN4A (0.39) SCN4AGLI1
SCHEMBL12214831 0.79 SCN4A (0.39) SCN4AGLI1
SCHEMBL25474247 0.78 SCN4A (0.39) SCN4AGLI1
SCHEMBL25551835 0.78 SCN4A (0.39) SCN4AGLI1
SCHEMBL11659883 0.78 SCN4A (0.39) SCN4AGLI1

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-0055043-A2 6,7,8,9-Tetrahydro-3H-benz(e)indolamine derivatives, processes for their preparation and intermediates used therein, and pharmaceutical compositions containing the indolamine derivatives AYERST, MCKENNA AND HARRISON INC. (CA) 1982-06-30 EP disclosed