SCHEMBL7657546

SCHEMBL7657546

CCN(CCN1CCN(Cc2cccc3ccccc23)C1=C(C#N)C#N)Cc1ccc(C=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.69
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
HDAC1 Q13547 3/20 0.33
KCNH2 Q12809 1/20 0.33
CDYL Q9Y232 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOB P27338 1/20 0.32
DPP4 P27487 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 2/20 0.32
OPRL1 P41146 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL7652819 0.91 HRH3 (0.77) HRH3ACHEHDAC1KCNH2CDYL
SCHEMBL7665250 0.91 HRH3 (0.71) HRH3BCHEACHECDYLPSEN1
SCHEMBL7655864 0.90 HRH3 (0.72) HRH3ACHEKCNH2CDYLMAOB
SCHEMBL7658318 0.88 HRH3 (0.65) HRH3DPP4MAPK1
SCHEMBL7659427 0.88 HRH3 (0.67) HRH3
SCHEMBL7663692 0.88 HRH3 (0.67) HRH3ACHEKDM4EOPRL1MAPT
SCHEMBL7654578 0.86 HRH3 (0.65) HRH3SMN1; SMN2NPSR1KDM4EOPRL1
SCHEMBL7663686 0.86 HRH3 (0.65) HRH3ACHESMN1; SMN2KDM4EOPRL1
SCHEMBL7660585 0.84 HRH3 (0.62) HRH3
SCHEMBL7661601 0.83 HRH3 (0.61) HRH3

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-2002085861-A1 IMIDAZOLIDINE COMPOUNDS AND THEIR USE AS CXCR3 ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-10-31 WO disclosed
US-6469002-B1 COMPOUNDS WHICH MODULATE CHEMOKINE RECEPTOR ACTIVITY AND ARE USEFUL IN TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. 2002-10-22 US disclosed