SCHEMBL4351955

SCHEMBL4351955

CC(C)N1CCN(C2(CNC(=O)c3cn(-c4ccccn4)c4nccc(Cl)c34)CCCCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCN4 Q9Y3Q4 12/20 0.55
HCN1 O60741 11/20 0.54
P2RX7 Q99572 1/20 0.43
MC4R P32245 2/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
SLC6A9 P48067 2/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL13706796 0.91 HCN4 (0.56) HCN4HCN1ALDH1A1TSHRTP53
SCHEMBL13706765 0.91 HCN4 (0.60) HCN4HCN1P2RX7ALDH1A1TSHR
SCHEMBL13706860 0.91 HCN4 (0.55) HCN4HCN1P2RX7MC4RALDH1A1
SCHEMBL13706772 0.90 HCN4 (0.54) HCN4HCN1P2RX7ALDH1A1TSHR
SCHEMBL4358152 0.89 HCN4 (0.55) HCN4HCN1P2RX7MC4RSLC6A9
SCHEMBL13706783 0.88 HCN4 (0.51) HCN4HCN1P2RX7MC4RALDH1A1
SCHEMBL13706785 0.87 HCN4 (0.51) HCN4HCN1P2RX7MC4RALDH1A1
SCHEMBL13706867 0.85 HCN4 (0.49) HCN4HCN1P2RX7MC4RALDH1A1
SCHEMBL13706754 0.84 HCN4 (0.43) HCN4HCN1P2RX7ALDH1A1TSHR
SCHEMBL13706954 0.84 HCN4 (0.43) HCN4HCN1P2RX7ALDH1A1TSHR

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