SCHEMBL4358058

SCHEMBL4358058

CC1CN(C2(CNC(=O)c3cn(-c4ncccn4)c4cccc(F)c34)CCCCC2)CCN1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCN1 O60741 8/20 0.42
HCN4 Q9Y3Q4 8/20 0.42
HCN3 Q9P1Z3 1/20 0.42
HCN2 Q9UL51 1/20 0.42
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
SLC6A9 P48067 1/20 0.39
P2RX7 Q99572 1/20 0.39
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL13706822 1.00 HCN1 (0.42) HCN1HCN4HCN3HCN2ALDH1A1
SCHEMBL13706601 0.91 HCN1 (0.44) HCN1HCN4HCN3HCN2ALDH1A1
SCHEMBL4540375 0.91 HCN1 (0.44) HCN1HCN4HCN3HCN2ALDH1A1
SCHEMBL4364179 0.91 P2RX7 (0.48) HCN1HCN4HCN3HCN2ALDH1A1
SCHEMBL13706899 0.91 P2RX7 (0.48) HCN1HCN4HCN3HCN2ALDH1A1
SCHEMBL13706815 0.91 P2RX7 (0.48) HCN1HCN4HCN3HCN2ALDH1A1
SCHEMBL13706728 0.88 HCN1 (0.42) HCN1HCN4ALDH1A1TSHRSLC6A9
SCHEMBL4359934 0.88 HCN1 (0.42) HCN1HCN4ALDH1A1TSHRSLC6A9
SCHEMBL4538239 0.86 P2RX7 (0.46) HCN1HCN4HCN3HCN2P2RX7
SCHEMBL4523000 0.86 P2RX7 (0.46) HCN1HCN4HCN3HCN2P2RX7

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-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 WO claimed