SCHEMBL5107283

SCHEMBL5107283

CCN(CC)CCCOc1ccc(C(C)C(C(N)=O)N(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.51
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOB P27338 2/20 0.45
KDM4E B2RXH2 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42

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
SCHEMBL491870 0.79 HRH3 (0.56) HRH3BCHEACHEALDH1A1KMT2A
SCHEMBL27785772 0.78 HRH3 (0.59) HRH3BCHEACHEALDH1A1KMT2A
SCHEMBL27785816 0.74 HRH3 (0.54) HRH3BCHEACHEALDH1A1KMT2A
SCHEMBL12741310 0.73 MAOB (0.51) HRH3MAOB
SCHEMBL14287631 0.73 KDM4E (0.50) HRH3ALDH1A1KDM4E
SCHEMBL14287780 0.72 HRH3 (0.56) HRH3BCHEACHEALDH1A1KMT2A
SCHEMBL5107279 0.72 HRH3 (0.56) HRH3BCHEACHEALDH1A1KMT2A
SCHEMBL9827594 0.71 EBP (0.59) HRH3ALDH1A1KMT2AKDM4ECHRM2
SCHEMBL491797 0.70 L3MBTL1 (0.69) HRH3BCHEACHEMAOB
SCHEMBL5418369 0.70 TP53 (0.64) HRH3BCHEACHE

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-7314937-B2 Non-imidazole aryl alkylamines compounds as histamine H3 receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2008-01-01 US disclosed