SCHEMBL19634469

SCHEMBL19634469

CC(C)(C)CNC(=O)CI

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.35
ADORA2A P29274 1/20 0.33
BCHE P06276 1/20 0.33
NAMPT P43490 1/20 0.30
PIM1 P11309 1/20 0.30

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
SCHEMBL18628615 0.83 PIK3CD (0.38) NAMPT
SCHEMBL23471143 0.78 RECQL (0.41) CACNA1H
SCHEMBL14932882 0.77 CACNA1H (0.36) CACNA1HADORA2ABCHE
SCHEMBL12028700 0.77 HPGD (0.46) CACNA1HBCHE
SCHEMBL8964 0.77 MEN1 (0.50) CACNA1HBCHE
SCHEMBL14902252 0.75 CACNA1H (0.35) CACNA1HBCHE
SCHEMBL13194845 0.75 LMNA (0.41)
SCHEMBL4866354 0.75 ALDH1A1 (0.48) CACNA1HBCHE
SCHEMBL8437331 0.75 CACNA1H (0.35) CACNA1HBCHE
SCHEMBL993141 0.75 CACNA1H (0.35) CACNA1HBCHE

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-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 WO disclosed