SCHEMBL6852942

SCHEMBL6852942

[N]CCCOc1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.58
DRD4 P21917 1/20 0.58
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KMT2A Q03164 3/20 0.57
KCNH2 Q12809 1/20 0.57
HRH3 Q9Y5N1 5/20 0.53
KDM4E B2RXH2 2/20 0.53
WDR5 P61964 1/20 0.50
MEN1 O00255 1/20 0.50
CYP2D6 P10635 1/20 0.49
FFAR1 O14842 1/20 0.48
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48

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
SCHEMBL9808215 0.86 LMNA (0.67) DRD2DRD4LMNAMAPK1HTT
SCHEMBL1685432 0.84 DRD2 (0.62) DRD2DRD4LMNAMAPK1HTT
SCHEMBL9774806 0.82 DRD2 (0.60) DRD2DRD4LMNAMAPK1HTT
SCHEMBL197632 0.81 KMT2A (0.76) DRD2DRD4LMNAMAPK1HTT
SCHEMBL2963485 0.81 DRD2 (0.58) DRD2DRD4LMNAMAPK1HTT
SCHEMBL6470787 0.81 DRD2 (0.58) DRD2DRD4LMNAMAPK1HTT
SCHEMBL5825855 0.81 KMT2A (0.60) DRD2DRD4LMNAMAPK1HTT
SCHEMBL6846799 0.81 DRD2 (0.58) DRD2DRD4LMNAMAPK1HTT
SCHEMBL29434730 0.81 DRD2 (0.58) DRD2DRD4LMNAMAPK1HTT
SCHEMBL31267597 0.80 DRD2 (0.54) DRD2DRD4LMNAMAPK1HTT

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
US-6756384-B2 TREATMENT OF DISEASES AND DISORDERS RELATED TO THE HISTAMINE H3 RECEPTOR. NOVO NORDISK A/S (DK) 2004-06-29 US disclosed