SCHEMBL21390955

SCHEMBL21390955

CC(C)(O)c1ccc2nc(CCCCC(=O)C[C@](C)(O)c3ccccc3)n(C3CCC3)c2n1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
DAGLA Q9Y4D2 1/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL21391134 0.93 RORC (0.33) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21390764 0.87 CYP11B1 (0.35) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21391133 0.87 CYP11B1 (0.33) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21391072 0.85 PDE10A (0.34) ALDH1A1ACSS2
SCHEMBL21390770 0.84 ALDH1A1 (0.31) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21391136 0.84 CYP11B1 (0.34)
SCHEMBL21390956 0.84 RORC (0.33) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21391001 0.83 ALDH1A1 (0.32) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21391142 0.82 RORC (0.34)
SCHEMBL21390952 0.81 RORC (0.34) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1

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-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed