SCHEMBL21391159

SCHEMBL21391159

CCOC(=O)Cc1ccc2nc(CCCCC(=O)CC(C)(C)C)n(C3CCC3)c2c1CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
OPRM1 P35372 4/20 0.33
OPRK1 P41145 4/20 0.33
OGFRL1 Q5TC84 4/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK6 Q00534 1/20 0.33
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
HDAC1 Q13547 4/20 0.32
OPRD1 P41143 3/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TBXAS1 P24557 1/20 0.30
THRB P10828 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
SCHEMBL21390979 0.86 HDAC1 (0.32) SMN1; SMN2NPSR1MAPTMAPK1HDAC1
SCHEMBL21390890 0.79 PLA2G1B (0.33) HDAC1
SCHEMBL21390682 0.77 JAK1 (0.32)
SCHEMBL21390815 0.76 HDAC1 (0.33) HDAC1
SCHEMBL21390924 0.76 HTR3A (0.34) ALDH1A1
SCHEMBL21390819 0.75 CNR2 (0.32) HDAC1
SCHEMBL21391078 0.74 KDM4E (0.33) HDAC1KDM4EALDH1A1
SCHEMBL21390892 0.72 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL21391130 0.72 CYP11B2 (0.38) HDAC1
SCHEMBL23132031 0.72 CYP11B2 (0.41) OPRM1OPRK1OGFRL1HDAC1OPRD1

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