SCHEMBL18126990

SCHEMBL18126990

O=C1CNC[C@H](Cc2ccccc2)N1Cc1cccc(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 3/20 0.39
▸ SLC6A4 P31645 3/20 0.39
▸ SLC6A3 Q01959 3/20 0.39
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ PIK3C3 Q8NEB9 5/20 0.33
▸ ATM Q13315 4/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ ATR Q13535 1/20 0.33
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 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
SCHEMBL18127406 0.84 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HDAC2HDAC8
SCHEMBL18114398 0.84 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HDAC2HDAC8
SCHEMBL18127123 0.78 MEN1 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL18127118 0.78 MEN1 (0.46) SLC6A2SLC6A4SLC6A3HDAC2HDAC8
SCHEMBL18127394 0.76 KMT2A (0.47) HDAC2HDAC8HDAC6
SCHEMBL18127404 0.76 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3HDAC2HDAC8
SCHEMBL18127392 0.75 GRM5 (0.42) SLC6A2SLC6A4SLC6A3HCRTR1HCRTR2
SCHEMBL18127382 0.75 HDAC8 (0.37) SLC6A2SLC6A4SLC6A3HDAC2HDAC8
SCHEMBL18114460 0.75 SIGMAR1 (0.48) HDAC8HDAC6MMP1MMP9HCRTR1
SCHEMBL18127332 0.74 ABCB1 (0.41) SLC6A2SLC6A4SLC6A3HDAC2HDAC8

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-2016160677-A1 COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2016-10-06 — — WO disclosed
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