SCHEMBL3709033

SCHEMBL3709033

CN(C(=O)O)C1CN(c2cc(C3CCNCC3)nc(N)n2)C1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 18/20 0.52
HRH3 Q9Y5N1 2/20 0.52
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42

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
SCHEMBL3717204 0.93 HRH4 (0.52) HRH4HRH3CDK1CDK2
SCHEMBL3717198 0.93 HRH4 (0.52) HRH4HRH3CDK1CDK2
SCHEMBL1773838 0.77 LMNA (0.51) HRH3
SCHEMBL6510068 0.76 HRH4 (0.55) HRH4HRH3
SCHEMBL3207369 0.76 HRH4 (0.57) HRH4HRH3
SCHEMBL4420312 0.75 HRH3 (0.57) HRH4HRH3
SCHEMBL1990283 0.75 HRH3 (0.48) HRH4HRH3
SCHEMBL4419619 0.75 HRH3 (0.41) HRH4HRH3
SCHEMBL23931281 0.75 PDPK1 (0.43) HRH4HRH3
SCHEMBL3710451 0.75 HRH4 (0.60) 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