SCHEMBL15086353

SCHEMBL15086353

Cc1ccn2cc(C3=Cc4ccc(N5CCN6CCC[C@H]6C5)cc4CCC3=O)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 6/20 0.41
TLR7 Q9NYK1 6/20 0.41
HTR6 P50406 5/20 0.40
SUV39H2 Q9H5I1 3/20 0.39
HRH3 Q9Y5N1 2/20 0.38
CTSS P25774 2/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADCY5 O95622 1/20 0.34
OGG1 O15527 1/20 0.33

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
SCHEMBL16844842 0.82 HTR6 (0.38) TLR9TLR7HTR6HRH3CTSS
SCHEMBL16844846 0.79 TLR9 (0.36) TLR9TLR7SUV39H2HRH3
SCHEMBL15086359 0.79 HRH3 (0.39) TLR9TLR7HTR6HRH3CTSS
SCHEMBL15086252 0.75 SYK (0.37)
SCHEMBL16669761 0.75 RAB9A (0.55) TLR9TLR7HTR6SUV39H2HRH3
SCHEMBL15086464 0.74
SCHEMBL15086290 0.74 ADRA2A (0.33) SUV39H2
SCHEMBL15086289 0.74 HTR6 (0.37) HTR6HRH3CTSSADCY5OGG1
SCHEMBL15086519 0.74 HRH3 (0.36) HTR6HRH3
SCHEMBL21301225 0.72 HTR6 (0.38) TLR9TLR7HTR6SUV39H2HRH3

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-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 WO disclosed