SCHEMBL3128013

SCHEMBL3128013

O=CC(c1cccnc1)N1CCC2(CC1)CC(C(=O)N1CCN(C3CCC3)CC1)C2

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.55
POLB P06746 1/20 0.46
CYP3A4 P08684 2/20 0.39
CYP3A5 P20815 2/20 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
SCHEMBL3134372 0.90 HRH3 (0.55) HRH3POLB
SCHEMBL2852634 0.79 HRH3 (0.78) HRH3POLBCYP3A4
SCHEMBL2848734 0.79 HRH3 (0.78) HRH3POLB
SCHEMBL3141638 0.78 HRH3 (0.52) HRH3POLB
SCHEMBL2843344 0.77 HRH3 (0.74) HRH3POLB
SCHEMBL3134332 0.76 HRH3 (0.55) HRH3POLB
SCHEMBL2848351 0.76 HRH3 (0.60) HRH3POLB
SCHEMBL2848874 0.75 HRH3 (0.81) HRH3CYP3A4
SCHEMBL2844348 0.74 HRH3 (0.79) HRH3CYP3A4
SCHEMBL2851223 0.72 HRH3 (0.76) 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
WO-2010062245-A1 SPIROCYCLOBUTYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-06-03 WO claimed