SCHEMBL15436729

SCHEMBL15436729

NC1CCN(CCc2cn3c(C(=O)NCC4CC5CC6CC=C4C5C6)cccc3n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.36
JAK1 P23458 1/20 0.30

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
SCHEMBL15436613 0.95 HTR4 (0.34) HTR4JAK1
SCHEMBL14943870 0.93 HTR4 (0.36) HTR4JAK1
SCHEMBL15436734 0.91 HTR4 (0.32) HTR4JAK1
SCHEMBL15436478 0.81 METTL3 (0.32)
SCHEMBL14943864 0.81 HTR4 (0.32) HTR4
SCHEMBL13238645 0.80 HTR4 (0.42) HTR4JAK1
SCHEMBL13238646 0.77 P2RX7 (0.41) HTR4JAK1
SCHEMBL14898666 0.77 P2RX7 (0.40)
SCHEMBL3027230 0.76 HTR2A (0.37) HTR4JAK1
SCHEMBL13238648 0.73 P2RX7 (0.37) HTR4JAK1

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
EP-2096923-B1 HETEROARYL AMIDE DERIVATIVES LUNDBECK & CO AS H (DK) 2014-01-22 EP disclosed