SCHEMBL13706796

SCHEMBL13706796

Cc1ccnc2c1c(C(=O)NCC1(N3CCN(C(C)C)CC3)CCCCC1)cn2-c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCN4 Q9Y3Q4 15/20 0.56
HCN1 O60741 13/20 0.55
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
OPRM1 P35372 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL4351955 0.91 HCN4 (0.55) HCN4HCN1ALDH1A1TSHRTP53
SCHEMBL13706768 0.90 HCN4 (0.55) HCN4HCN1ALDH1A1TSHRTP53
SCHEMBL4358152 0.83 HCN4 (0.55) HCN4HCN1
SCHEMBL13706860 0.82 HCN4 (0.55) HCN4HCN1ALDH1A1TSHRTP53
SCHEMBL13706765 0.82 HCN4 (0.60) HCN4HCN1ALDH1A1TSHRTP53
SCHEMBL13706783 0.82 HCN4 (0.51) HCN4HCN1ALDH1A1TSHRTP53
SCHEMBL13706853 0.82 HCN1 (0.60) HCN4HCN1ALDH1A1TSHRTP53
SCHEMBL4364182 0.81 HCN4 (0.56) HCN4HCN1ALDH1A1TSHRTP53
SCHEMBL13706772 0.81 HCN4 (0.54) HCN4HCN1ALDH1A1TSHRTP53
SCHEMBL13706774 0.80 HCN4 (0.55) HCN4HCN1ALDH1A1TSHRTP53

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