SCHEMBL14097282

SCHEMBL14097282

CCC(N)CCNCc1ccc(CN(CCC(C)(N)CC)C(=O)CCC(=O)OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ HTR5A P47898 3/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ HDAC3 O15379 3/20 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
SCHEMBL13933352 0.86 HDAC3 (0.41) POLBTLR7MEN1KMT2AHDAC3
SCHEMBL13932953 0.79 USP2 (0.45) POLBTLR7MEN1KMT2AHDAC3
SCHEMBL14706004 0.76 HDAC3 (0.34) POLBTLR7MEN1KMT2AHDAC3
SCHEMBL13493223 0.75 HRH3 (0.35) SLC6A4MEN1KMT2AOPRM1OPRD1
SCHEMBL13493234 0.74 TSHR (0.45) POLBHTR5AHDAC3HDAC1HDAC2
SCHEMBL14706185 0.73 HDAC6 (0.41) POLBHDAC3HDAC1HDAC2HDAC6
SCHEMBL13493226 0.71 HDAC1 (0.40) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL13521690 0.69 HDAC3 (0.46) POLBTLR7KMT2AACHEHDAC3
SCHEMBL13933350 0.68 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL13493193 0.68 HRH4 (0.35) SLC6A4MEN1KMT2AS1PR2S1PR4

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-2008103847-A2 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE ALLACCEM, INCORPORATED (US) 2008-08-28 — — WO disclosed
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