SCHEMBL3366964

SCHEMBL3366964

CN1CCN(c2nc(N)nc3cc(-c4cccc(N5CCCC5)c4)ccc23)CC1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 19/20 0.75
HRH1 P35367 3/20 0.64
HRH3 Q9Y5N1 3/20 0.64
PRKDC P78527 1/20 0.56

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
SCHEMBL1032182 0.86 HRH4 (1.00) HRH4HRH1HRH3
SCHEMBL3365598 0.85 HRH4 (0.80) HRH4HRH1HRH3
SCHEMBL3366702 0.84 HRH4 (0.78) HRH4HRH1HRH3
SCHEMBL3362883 0.82 HRH4 (0.75) HRH4HRH1HRH3
SCHEMBL1028892 0.81 HRH4 (1.00) HRH4HRH1HRH3
SCHEMBL28012728 0.80 HRH4 (0.76) HRH4HRH1HRH3
SCHEMBL3364869 0.80 HRH4 (0.80) HRH4HRH1HRH3
SCHEMBL3366750 0.80 HRH4 (0.71) HRH4HRH1HRH3
SCHEMBL1034436 0.78 HRH4 (1.00) HRH4HRH1HRH3
SCHEMBL1031103 0.78 HRH4 (1.00) HRH4HRH1HRH3

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-2010146173-A1 QUINAZOLINE DERIVATIVES AS HISTAMINE H4-RECEPT0R INHIBITORS FOR USE IN THE TREATMENT OF INFLAMMATORY DISORDERS VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2010-12-23 WO disclosed