SCHEMBL18767312

SCHEMBL18767312

O=C(NCC1CCNCC1)c1cc2ccccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.67
▸ KDM4E B2RXH2 4/20 0.62
▸ HSD17B10 Q99714 2/20 0.62
▸ HPGD P15428 1/20 0.62
▸ SCN4A P35499 1/20 0.57
▸ SCN9A Q15858 1/20 0.57
▸ SCN3A Q9NY46 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ DRD2 P14416 1/20 0.54
▸ DRD3 P35462 1/20 0.54
▸ NAMPT P43490 1/20 0.54
▸ AKR1C3 P42330 1/20 0.53
▸ HTR2C P28335 1/20 0.53

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
SCHEMBL22534020 0.93 MAOB (0.60) MAOBKDM4EHSD17B10HPGDSCN4A
SCHEMBL6885051 0.92 KDM4E (0.67) KDM4EHSD17B10HPGDSCN4ASCN9A
SCHEMBL6885191 0.90 KDM4E (0.68) KDM4EHSD17B10HPGDSCN4ASCN9A
SCHEMBL6883734 0.90 KDM4E (0.68) KDM4EHSD17B10HPGDSCN4ASCN9A
SCHEMBL75509 0.88 KDM4E (0.67) KDM4EHSD17B10HPGDSCN4ASCN9A
SCHEMBL18767964 0.84 SLC6A2 (0.59) KDM4EHSD17B10HPGDSCN4ASCN9A
SCHEMBL22533895 0.81 SCN4A (0.65) KDM4EHSD17B10HPGDSCN4ASCN9A
SCHEMBL21822116 0.80 ITGB3 (0.57) NAMPT
SCHEMBL18768573 0.80 SLC6A2 (0.66) MAOBKDM4EHSD17B10HPGDDRD2
SCHEMBL30102648 0.80 MAOB (0.60) MAOBKDM4ESCN4ASCN9AALDH1A1

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-2017066705-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AGAINST STRESS GRANULES AQUINNAH PHARMACEUTICALS, INC. (US) 2017-04-20 — — WO disclosed
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