SCHEMBL20052772

SCHEMBL20052772

CCC(CC(CC(C)C)C(C)C)NC

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.32

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
SCHEMBL18596976 0.86 SLC6A4 (0.31) SLC6A4
SCHEMBL10291757 0.83
SCHEMBL172424 0.83
SCHEMBL172387 0.83
SCHEMBL24862296 0.76 SLC6A4 (0.31) SLC6A4
SCHEMBL9989406 0.74 TSHR (0.41)
SCHEMBL21146097 0.73 SLC6A4 (0.31) SLC6A4
SCHEMBL20613668 0.73 SLC6A4 (0.31) SLC6A4
SCHEMBL599070 0.72 TSHR (0.35)
SCHEMBL22882514 0.70 SLC6A4 (0.32) SLC6A4

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
US-9944633-B2 Compounds and methods for the treatment of isocitrate dehydrogenase related diseases THE BROAD INSTITUTE, INC. (US) 2018-04-17 US disclosed