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SCHEMBL4364182

SCHEMBL4364182

Cc1cccc2c1c(C(=O)NCC1(N3CCN(C(C)C)CC3)CCCCC1)cn2-c1ncccn1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HCN4 Q9Y3Q4 14/20 0.56
▸ HCN1 O60741 12/20 0.55
▸ ALDH1A1 P00352 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ THRB P10828 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ P2RX7 Q99572 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL4350608 0.91 HCN4 (0.55) HCN4HCN1ALDH1A1TSHRP2RX7
SCHEMBL4350496 0.91 HCN4 (0.55) HCN4HCN1ALDH1A1TSHRTP53
SCHEMBL4361081 0.91 HCN4 (0.55) HCN4HCN1ALDH1A1TSHRP2RX7
SCHEMBL4355954 0.91 HCN1 (0.62) HCN4HCN1ALDH1A1TSHRTHRB
SCHEMBL4535037 0.89 HCN4 (0.55) HCN4HCN1ALDH1A1TSHRTHRB
SCHEMBL4356002 0.88 HCN4 (0.52) HCN4HCN1ALDH1A1TSHRTHRB
SCHEMBL13706885 0.86 HCN4 (0.53) HCN4HCN1P2RX7
SCHEMBL13706839 0.83 HCN4 (0.52) HCN4HCN1P2RX7
SCHEMBL13706866 0.83 HCN4 (0.52) HCN4HCN1P2RX7
SCHEMBL4540375 0.83 HCN1 (0.44) HCN4HCN1ALDH1A1TSHRTHRB

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