SCHEMBL4356002

SCHEMBL4356002

Cc1cccc2c1c(C(=O)NCC1(N3CCN(C(C)C)CC3)CCCCC1)cn2-c1cnccn1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCN4 Q9Y3Q4 14/20 0.52
HCN1 O60741 12/20 0.51
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
P2RX7 Q99572 1/20 0.40
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4350518 0.92 HCN4 (0.51) HCN4HCN1P2RX7
SCHEMBL4364182 0.88 HCN4 (0.56) HCN4HCN1ALDH1A1TSHRP2RX7
SCHEMBL4358868 0.83 HCN4 (0.58) HCN4HCN1P2RX7TP53
SCHEMBL4351540 0.83 HCN4 (0.58) HCN4HCN1P2RX7TP53
SCHEMBL4358152 0.82 HCN4 (0.55) HCN4HCN1P2RX7
SCHEMBL13706748 0.82 HCN4 (0.51) HCN4HCN1P2RX7
SCHEMBL13706884 0.80 HCN4 (0.52) HCN4HCN1P2RX7
SCHEMBL13706775 0.80 HCN4 (0.50) HCN4HCN1P2RX7
SCHEMBL4360116 0.80 P2RX7 (0.49) HCN4HCN1ALDH1A1TSHRP2RX7
SCHEMBL13706796 0.80 HCN4 (0.56) 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 claimed