SCHEMBL13706858

SCHEMBL13706858

CN1CCN(C2(CNC(=O)c3cn(-c4ncccn4)c4nccc(Cl)c34)CCCCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCN4 Q9Y3Q4 5/20 0.60
HCN1 O60741 6/20 0.54
TP53 P04637 4/20 0.52
OPRM1 P35372 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
SLC6A9 P48067 4/20 0.47
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
THRB P10828 2/20 0.45
LMNA P02545 1/20 0.45
P2RX7 Q99572 1/20 0.45

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
SCHEMBL4350376 1.00 HCN4 (0.60) HCN4HCN1TP53OPRM1SIGMAR1
SCHEMBL4535758 0.92 HCN4 (0.50) HCN4HCN1TP53OPRM1SIGMAR1
SCHEMBL4536437 0.92 HCN4 (0.54) HCN4HCN1SLC6A9ALDH1A1TSHR
SCHEMBL13706765 0.91 HCN4 (0.60) HCN4HCN1TP53OPRM1SIGMAR1
SCHEMBL13706860 0.91 HCN4 (0.55) HCN4HCN1TP53SLC6A9ALDH1A1
SCHEMBL13706853 0.90 HCN1 (0.60) HCN4HCN1TP53OPRM1SIGMAR1
SCHEMBL13706843 0.90 ALDH1A1 (0.56) HCN4ALDH1A1TSHRTHRBLMNA
SCHEMBL13706906 0.90 HCN4 (0.51) HCN4HCN1TP53SLC6A9ALDH1A1
SCHEMBL13706779 0.88 HCN1 (0.57) HCN4HCN1TP53OPRM1SIGMAR1
SCHEMBL3688404 0.88 HCN4 (0.63) HCN4HCN1TP53OPRM1SIGMAR1

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