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SCHEMBL13706860

SCHEMBL13706860

CC(C)N1CCN(C2(CNC(=O)c3cn(-c4ncccn4)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
▸ ALDH1A1 P00352 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SLC6A9 P48067 3/20 0.43
▸ P2RX7 Q99572 1/20 0.43
▸ TP53 P04637 1/20 0.41
▸ MC4R P32245 1/20 0.41
▸ 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
SCHEMBL4351955 0.91 HCN4 (0.55) HCN4HCN1ALDH1A1TSHRSLC6A9
SCHEMBL13706858 0.91 HCN4 (0.60) HCN4HCN1ALDH1A1TSHRSLC6A9
SCHEMBL4350376 0.91 HCN4 (0.60) HCN4HCN1ALDH1A1TSHRSLC6A9
SCHEMBL13706783 0.90 HCN4 (0.51) HCN4HCN1ALDH1A1TSHRSLC6A9
SCHEMBL4536437 0.89 HCN4 (0.54) HCN4HCN1ALDH1A1TSHRSLC6A9
SCHEMBL13706785 0.89 HCN4 (0.51) HCN4HCN1ALDH1A1TSHRSLC6A9
SCHEMBL4361081 0.89 HCN4 (0.55) HCN4HCN1ALDH1A1TSHRSLC6A9
SCHEMBL4350608 0.89 HCN4 (0.55) HCN4HCN1ALDH1A1TSHRSLC6A9
SCHEMBL13706973 0.88 HCN4 (0.53) HCN4HCN1ALDH1A1TSHRSLC6A9
SCHEMBL4535758 0.88 HCN4 (0.50) HCN4HCN1ALDH1A1TSHRSLC6A9

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