SCHEMBL3366636

SCHEMBL3366636

CN1CCN(c2ncnc3cc([N+](=O)[O-])ccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.58
BACE1 P56817 3/20 0.58
HRH4 Q9H3N8 2/20 0.57
EIF2AK2 P19525 1/20 0.55
PDGFRB P09619 5/20 0.55
HTT P42858 1/20 0.52
KIT P10721 1/20 0.51
PDGFRA P16234 1/20 0.51
FLT3 P36888 1/20 0.51
SIRT6 Q8N6T7 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
WDR5 P61964 1/20 0.48
KMT2A Q03164 1/20 0.48
APP P05067 1/20 0.47
BCHE P06276 1/20 0.47
KDM1A O60341 1/20 0.47
EGFR P00533 1/20 0.46

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
SCHEMBL6178429 0.90 EIF2AK2 (0.64) ACHEBACE1HRH4EIF2AK2PDGFRB
SCHEMBL22911861 0.88 ACHE (0.56) ACHEBACE1PDGFRBHTTKIT
SCHEMBL2922107 0.85 ACHE (0.53) ACHEBACE1PDGFRBHTTKIT
SCHEMBL11720346 0.79 RHOA (0.63) ACHEHRH4EIF2AK2SIRT6HRH3
SCHEMBL6178930 0.77 HRH4 (0.57) ACHEHRH4EIF2AK2SIRT6HRH3
SCHEMBL3366711 0.77 HRH4 (0.64) ACHEBACE1HRH4HTTKMT2A
SCHEMBL3367557 0.77 HTT (0.79) ACHEBACE1HRH4HTTKMT2A
SCHEMBL28638711 0.77 CYP1A2 (0.67) ACHEBACE1HRH4PDGFRBHTT
SCHEMBL29594718 0.76 PDGFRB (0.45) ACHEBACE1PDGFRBKITPDGFRA
SCHEMBL3361468 0.75 PRKDC (0.71) ACHEBACE1HRH4HTTKMT2A

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
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
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