SCHEMBL13706728

SCHEMBL13706728

C[C@H]1CN(C2(CNC(=O)c3cn(-c4ncccn4)c4cccc(F)c34)CCCCC2)CCN1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCN1 O60741 11/20 0.42
HCN4 Q9Y3Q4 12/20 0.41
SLC6A9 P48067 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
P2RX7 Q99572 1/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
OPRM1 P35372 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4359934 1.00 HCN1 (0.42) HCN1HCN4SLC6A9ALDH1A1TSHR
SCHEMBL13706816 0.91 P2RX7 (0.51) HCN1HCN4SLC6A9P2RX7
SCHEMBL4360124 0.91 P2RX7 (0.51) HCN1HCN4SLC6A9P2RX7
SCHEMBL4355970 0.89 HCN1 (0.54) HCN1HCN4SLC6A9ALDH1A1TSHR
SCHEMBL13706822 0.88 HCN1 (0.42) HCN1HCN4SLC6A9ALDH1A1TSHR
SCHEMBL4358058 0.88 HCN1 (0.42) HCN1HCN4SLC6A9ALDH1A1TSHR
SCHEMBL4353725 0.86 HCN4 (0.54) HCN1HCN4SLC6A9ALDH1A1TSHR
SCHEMBL4350496 0.85 HCN4 (0.55) HCN1HCN4SLC6A9ALDH1A1TSHR
SCHEMBL4355954 0.80 HCN1 (0.62) HCN1HCN4ALDH1A1TSHRP2RX7
SCHEMBL3688404 0.79 HCN4 (0.63) HCN1HCN4SLC6A9ALDH1A1TSHR

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 disclosed