SCHEMBL14287705

SCHEMBL14287705

CCN(CC)CCCOc1ccc(CN2CCNC(=O)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.67
TSHR P16473 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CHRM2 P08172 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL14287830 0.81 HRH3 (0.77) HRH3TSHRCHRM2
SCHEMBL3581584 0.80 HRH3 (1.00) HRH3TSHR
SCHEMBL14287702 0.79 HRH3 (0.78) HRH3TSHRNPC1RAB9AALDH1A1
SCHEMBL14287706 0.79 HRH3 (0.76) HRH3
SCHEMBL14287714 0.76 HRH3 (0.81) HRH3TSHRNPC1RAB9AALDH1A1
SCHEMBL14287704 0.75 HRH3 (0.79) HRH3TSHRNPC1RAB9ATP53
SCHEMBL3576962 0.74 HRH3 (1.00) HRH3TSHRCHRM2
SCHEMBL14872735 0.72 TSHR (0.72) HRH3TSHRCHRM2NPC1RAB9A
SCHEMBL14287667 0.72 SCN9A (0.48) HRH3
SCHEMBL15963172 0.72 LTA4H (0.53) HRH3CHRM2ALDH1A1

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
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
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