SCHEMBL22484601

SCHEMBL22484601

O=CNc1ccc(N2CCN(C3CC3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
HRH3 Q9Y5N1 1/20 0.45
GRIN2B Q13224 1/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
GAA P10253 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ALOX15 P16050 1/20 0.40
MBTD1 Q05BQ5 1/20 0.40
WEE1 P30291 1/20 0.40

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
SCHEMBL22484768 0.94 L3MBTL3 (0.50) L3MBTL3L3MBTL1KMT2AMEN1HRH3
SCHEMBL14418337 0.92 HRH3 (0.48) L3MBTL3L3MBTL1KMT2AMEN1HRH3
SCHEMBL29037744 0.90 ALDH1A1 (0.46) L3MBTL3L3MBTL1KMT2AMEN1HRH3
SCHEMBL22484604 0.88 L3MBTL3 (0.67) L3MBTL3L3MBTL1MBTD1
SCHEMBL29037799 0.87 L3MBTL3 (0.49) L3MBTL3L3MBTL1KMT2AHRH3MBTD1
SCHEMBL13973363 0.86 L3MBTL3 (0.65) L3MBTL3L3MBTL1MBTD1
SCHEMBL29037728 0.85 L3MBTL3 (0.50) L3MBTL3L3MBTL1HRH3GAAMBTD1
SCHEMBL13973359 0.80 ALDH1A1 (0.57) KMT2AMEN1GAA
SCHEMBL10133331 0.79 TRIM24 (0.57) L3MBTL1KMT2AMEN1GAA
SCHEMBL31003565 0.79 HPGDS (0.43) KMT2AMEN1GAAWEE1

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-2020198368-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2020-10-01 WO disclosed