SCHEMBL4134444

SCHEMBL4134444

CN1CCN(c2cc(N)nc(NC3CCCCC3)n2)CC1

nearest known ligand 0.97

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 15/20 0.97
HRH3 Q9Y5N1 1/20 0.55
HTR6 P50406 1/20 0.51
PRKD1 Q15139 1/20 0.47
PRKD2 Q9BZL6 1/20 0.47

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
SCHEMBL3997414 1.00 HRH4 (0.97) HRH4HRH3HTR6PRKD1PRKD2
SCHEMBL3997187 0.99 HRH4 (1.00) HRH4HRH3HTR6
SCHEMBL3993315 0.86 HRH4 (0.84) HRH4
SCHEMBL4122731 0.83 HRH4 (0.72) HRH4HRH3
SCHEMBL3994713 0.82 HRH4 (0.70) HRH4HTR6PRKD1PRKD2
SCHEMBL3996342 0.79 HRH4 (0.97) HRH4HRH3HTR6
SCHEMBL23173867 0.77 HRH4 (0.97) HRH4HRH3HTR6PRKD1PRKD2
SCHEMBL9884847 0.77 HRH4 (0.59) HRH4
SCHEMBL603922 0.76 HRH4 (0.97) HRH4HTR6PRKD1PRKD2
SCHEMBL9884848 0.76 HRH4 (0.58) HRH4HRH3HTR6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066645-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB Pharma S.A. (BE) 2009-06-10 EP disclosed
WO-2008031556-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB PHARMA, S.A. (BE) 2008-03-20 WO disclosed