SCHEMBL15086289

SCHEMBL15086289

Cc1ccc2oc(C3=Cc4ccc(N5CCN6CCC[C@H]6C5)cc4CCC3=O)cc2n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.37
HRH3 Q9Y5N1 2/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HDAC4 P56524 1/20 0.34
HRH4 Q9H3N8 3/20 0.33
CTSS P25774 3/20 0.32
ADCY5 O95622 1/20 0.32
MAP4K4 O95819 1/20 0.32
PTK2 Q05397 1/20 0.31
CXCR4 P61073 2/20 0.31
OGG1 O15527 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
SCHEMBL16669739 0.77 HTR6 (0.41) HTR6HRH3ADRA2AADRA2BADRA2C
SCHEMBL15069005 0.77 HTR6 (0.41) HTR6HRH3ADRA2AADRA2BADRA2C
SCHEMBL15086353 0.74 TLR9 (0.41) HTR6HRH3CTSSADCY5OGG1
SCHEMBL15086519 0.73 HRH3 (0.36) HTR6HRH3ADRA2AADRA2BADRA2C
SCHEMBL16844842 0.71 HTR6 (0.38) HTR6HRH3ADRA2AADRA2BADRA2C
SCHEMBL15086359 0.70 HRH3 (0.39) HTR6HRH3HDAC4CTSSADCY5
SCHEMBL15086342 0.70 HTR6 (0.36) HTR6HRH3HDAC4ADCY5
SCHEMBL15086464 0.68
SCHEMBL21301465 0.68 KDM4E (0.38) HTR6ADRA2AADRA2BADRA2CHRH4
SCHEMBL16844846 0.66 TLR9 (0.36) HRH3PTK2

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