SCHEMBL3998971

SCHEMBL3998971

C[C@@H]1CN(c2cc(C3CCCC3)nc(N)n2)CCN1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 19/20 0.59
HRH3 Q9Y5N1 1/20 0.53
GRM1 Q13255 1/20 0.41

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
SCHEMBL3996125 1.00 HRH4 (0.59) HRH4HRH3GRM1
SCHEMBL3195553 0.85 MAP4K4 (0.53) HRH4HRH3
SCHEMBL3200673 0.85 MAP4K4 (0.53) HRH4HRH3
SCHEMBL3209109 0.84 MAP4K4 (0.52) HRH4HRH3
SCHEMBL3998706 0.76 HRH4 (0.49) HRH4HRH3
SCHEMBL3199644 0.76 HRH4 (0.71) HRH4HRH3
SCHEMBL3197463 0.75 HRH4 (0.46) HRH4HRH3
SCHEMBL3203009 0.75 HRH4 (0.46) HRH4HRH3
SCHEMBL3207707 0.75 HRH4 (0.67) HRH4HRH3
SCHEMBL3207716 0.75 HRH4 (0.67) 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 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