SCHEMBL5212466

SCHEMBL5212466

CC(C)N1CCC(OC2CCN(c3ccc(C#N)nc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.48
CHEK1 O14757 4/20 0.39
LCAT P04180 1/20 0.38
TACR3 P29371 1/20 0.37
GPR119 Q8TDV5 1/20 0.37

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
Hydrochloric Acid SCHEMBL5211669 0.99 HRH3 (0.47) HRH3CHEK1LCATTACR3
SCHEMBL4031793 0.86 HRH3 (0.42) HRH3CHEK1LCATTACR3
SCHEMBL5212927 0.81 HRH3 (0.64) HRH3
SCHEMBL5208629 0.81 HRH3 (0.48) HRH3LCAT
Hydrochloric Acid SCHEMBL5211632 0.80 HRH3 (0.63) HRH3GPR119
Hydrochloric Acid SCHEMBL5210549 0.80 HRH3 (0.47) HRH3LCATTACR3
SCHEMBL3863105 0.79 HRH3 (0.62) HRH3TACR3
Hydrochloric Acid SCHEMBL3859424 0.78 HRH3 (0.61) HRH3TACR3
SCHEMBL5213183 0.78 HRH3 (0.61) HRH3LCAT
SCHEMBL5210405 0.77 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
EP-1646620-B1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2007-08-15 EP claimed
EP-1646620-B1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2007-08-15 EP disclosed