SCHEMBL21391137

SCHEMBL21391137

Cc1ccnc2c1nc(CCCCC(=O)CC(C)(O)c1ccccc1)n2C1CCC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.34
AGTR1 P30556 1/20 0.34
PDE4B Q07343 3/20 0.32
PDE7A Q13946 2/20 0.32
PDE2A O00408 1/20 0.32
PDE5A O76074 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3A Q14432 1/20 0.32
PDE10A Q9Y233 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL21390758 0.90 HTR3A (0.31) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21390956 0.81 RORC (0.33) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21390955 0.80 ALDH1A1 (0.32) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21390781 0.79 BRD4 (0.33) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21391134 0.79 RORC (0.33) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21390770 0.79 ALDH1A1 (0.31) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21390952 0.79 RORC (0.34) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21390754 0.79 NOS1 (0.33) PDE4BPDE7APDE2APDE5APDE1B
SCHEMBL20624489 0.79 EGFR (0.37) AGTR2AGTR1PDE4BPDE7APDE2A
SCHEMBL19277960 0.79 EGFR (0.37) AGTR2AGTR1PDE4BPDE7APDE2A

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