SCHEMBL6444331

SCHEMBL6444331

CN(C)CCOc1cccc(C#N)c1.N#Cc1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.56
HRH1 P35367 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 2/20 0.47
HTT P42858 1/20 0.47
MAPK8 P45983 1/20 0.47
CAMKK2 Q96RR4 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LTA4H P09960 1/20 0.46
ESR1 P03372 2/20 0.46
ACHE P22303 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
SCHEMBL8796178 0.82 HRH3 (0.68) HRH2HRH1HRH3ALDH1A1KDM4E
SCHEMBL424774 0.82 HRH3 (0.79) HRH2HRH1HRH3ALDH1A1KDM4E
SCHEMBL781198 0.80 CHRNB2 (0.59) HRH3ALDH1A1KDM4ELTA4HESR1
SCHEMBL29658837 0.80 CHRNB2 (0.59) HRH3ALDH1A1KDM4ELTA4HESR1
SCHEMBL30357733 0.77 LTA4H (0.61) HRH2HRH1HRH3ALDH1A1KDM4E
SCHEMBL7291468 0.75 HRH3 (0.92) HRH2HRH1HRH3ALDH1A1
SCHEMBL1730425 0.75 LTA4H (0.55) HRH2HRH1HRH3ALDH1A1HTT
SCHEMBL5228904 0.75 KDM4E (0.58) HRH2HRH1HRH3ALDH1A1KDM4E
SCHEMBL8795398 0.74 HRH3 (0.84) HRH2HRH1HRH3ALDH1A1KDM4E
SCHEMBL27866763 0.74 ESR1 (0.54) HRH3ALDH1A1KDM4ESMN1; SMN2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 WO disclosed