SCHEMBL3710441

SCHEMBL3710441

Nc1nc(C2CCNCC2)cc(N2CC[C@@H](NC(=O)O)C2)n1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 20/20 0.60
HRH3 Q9Y5N1 1/20 0.54

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
SCHEMBL3710451 1.00 HRH4 (0.60) HRH4HRH3
SCHEMBL3189030 0.92 HRH4 (0.70) HRH4HRH3
SCHEMBL3199644 0.90 HRH4 (0.71) HRH4HRH3
SCHEMBL3997222 0.82 HRH4 (0.64) HRH4HRH3
SCHEMBL3210909 0.81 HRH4 (0.62) HRH4HRH3
SCHEMBL3188844 0.80 HRH4 (0.51) HRH4HRH3
SCHEMBL3717198 0.79 HRH4 (0.52) HRH4HRH3
SCHEMBL3717204 0.79 HRH4 (0.52) HRH4HRH3
Formic Acid SCHEMBL3190630 0.77 HRH4 (0.47) HRH4HRH3
SCHEMBL3204115 0.76 HRH4 (0.52) HRH4HRH3

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-2010094721-A1 PIPERIDIN-PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF HISTAMINE H4 RECEPTOR PALAU PHARMA, S. A. (ES) 2010-08-26 WO disclosed