SCHEMBL15086359

SCHEMBL15086359

O=C1CCc2cc(N3CCN4CCC[C@H]4C3)ccc2C=C1c1ccc2nccn2c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
MAT2A P31153 1/20 0.34
HTR6 P50406 5/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
HDAC4 P56524 1/20 0.33
ADCY5 O95622 1/20 0.33
CTSS P25774 1/20 0.33
GRM2 Q14416 5/20 0.32
DGAT2 Q96PD7 1/20 0.32
NAMPT P43490 1/20 0.32
USP9X Q93008 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
SCHEMBL21301422 0.85 HRH3 (0.40) HRH3MAT2AHTR6TLR9TLR7
SCHEMBL15086353 0.79 TLR9 (0.41) HRH3HTR6TLR9TLR7ADCY5
SCHEMBL15086519 0.79 HRH3 (0.36) HRH3HTR6HDAC4
SCHEMBL21301420 0.75 HRH3 (0.35) HRH3MAT2AHTR6TLR9TLR7
SCHEMBL15069100 0.74 HRH3 (0.40) HRH3MAT2AHTR6TLR9TLR7
SCHEMBL15086289 0.70 HTR6 (0.37) HRH3HTR6HDAC4ADCY5CTSS
SCHEMBL16844842 0.70 HTR6 (0.38) HRH3HTR6TLR9TLR7HDAC4
SCHEMBL15086342 0.69 HTR6 (0.36) HRH3HTR6HDAC4ADCY5
SCHEMBL15086513 0.69 TLR9 (0.38) HTR6TLR9TLR7
SCHEMBL15086241 0.68 HRH4 (0.33)

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