SCHEMBL4540375

SCHEMBL4540375

Cc1cccc2c1c(C(=O)NCC1(N3CCNC(C)C3)CCCCC1)cn2-c1ncccn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCN1 O60741 10/20 0.44
HCN4 Q9Y3Q4 12/20 0.42
HCN3 Q9P1Z3 1/20 0.42
HCN2 Q9UL51 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
P2RX7 Q99572 1/20 0.39
THRB P10828 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL13706601 1.00 HCN1 (0.44) HCN1HCN4HCN3HCN2ALDH1A1
SCHEMBL13706822 0.91 HCN1 (0.42) HCN1HCN4HCN3HCN2ALDH1A1
SCHEMBL4364179 0.91 P2RX7 (0.48) HCN1HCN4HCN3HCN2ALDH1A1
SCHEMBL13706815 0.91 P2RX7 (0.48) HCN1HCN4HCN3HCN2ALDH1A1
SCHEMBL4358058 0.91 HCN1 (0.42) HCN1HCN4HCN3HCN2ALDH1A1
SCHEMBL13706899 0.91 P2RX7 (0.48) HCN1HCN4HCN3HCN2ALDH1A1
SCHEMBL4527646 0.89 HCN4 (0.42) HCN1HCN4HCN3HCN2ALDH1A1
SCHEMBL4531164 0.86 P2RX7 (0.46) HCN1HCN4HCN3HCN2P2RX7
SCHEMBL4355954 0.85 HCN1 (0.62) HCN1HCN4ALDH1A1TSHRP2RX7
SCHEMBL13706805 0.84 P2RX7 (0.41) HCN1HCN4HCN3HCN2ALDH1A1

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