SCHEMBL13574591

SCHEMBL13574591

c1cc(N2C[C@H]3CCN[C@H]3C2)cc(NC2CCC3CC4CC(C3)C2C4)n1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 15/20 0.47
CHRNB2 P17787 2/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
CHRNA4 P43681 2/20 0.31
USP9X Q93008 1/20 0.31

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
SCHEMBL847936 0.86 HRH4 (0.42) HRH4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL847746 0.79 HRH4 (0.37) HRH4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL846788 0.78 HRH4 (0.56) HRH4
SCHEMBL846801 0.76 HRH4 (0.39) HRH4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1588121 0.75 HRH4 (0.45) HRH4
SCHEMBL19519110 0.74 HRH4 (0.42) HRH4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL846956 0.74 HRH4 (0.64) HRH4
SCHEMBL1588623 0.74 HRH4 (0.64) HRH4
SCHEMBL1588097 0.71 HRH4 (0.61) HRH4
SCHEMBL860792 0.71 HRH4 (0.44) HRH4

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-2009152325-A1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2009-12-17 WO disclosed