SCHEMBL5209745

SCHEMBL5209745

CCNC(=O)c1cnc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.49
PARP1 P09874 1/20 0.44
HRH1 P35367 1/20 0.39

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
SCHEMBL5211024 0.92 HRH3 (0.43) HRH3HRH1
SCHEMBL4034857 0.88 HRH3 (0.48) HRH3PARP1HRH1
SCHEMBL5211294 0.88 HRH3 (0.50) HRH3PARP1HRH1
SCHEMBL5213075 0.87 HRH3 (0.46) HRH3PARP1HRH1
SCHEMBL5212822 0.85 ACKR3 (0.46) HRH3
SCHEMBL5283558 0.85 HRH3 (0.54) HRH3
SCHEMBL5213489 0.84 HRH3 (0.57) HRH3PARP1
SCHEMBL5212146 0.84 HRH3 (0.54) HRH3PARP1
Hydrochloric Acid SCHEMBL5210651 0.82 HRH3 (0.48) HRH3
Hydrochloric Acid SCHEMBL5213349 0.81 HRH3 (0.47) 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 1 patent. 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