SCHEMBL7220395

SCHEMBL7220395

C=CCN(C(=O)O)C1CCCN1CCCOc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.57
HRH2 P25021 17/20 0.53
HRH1 P35367 17/20 0.53

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
SCHEMBL5213682 0.84 HRH3 (0.65) HRH3HRH2HRH1
SCHEMBL5214848 0.81 HRH3 (0.58) HRH3HRH2HRH1
SCHEMBL5215002 0.80 HRH3 (0.65) HRH3HRH2HRH1
SCHEMBL5218407 0.80 HRH3 (0.62) HRH3HRH2HRH1
SCHEMBL5221563 0.79 HRH3 (0.64) HRH3HRH2HRH1
SCHEMBL5219742 0.79 HRH3 (0.64) HRH3HRH2HRH1
SCHEMBL7220701 0.78 HRH3 (0.62) HRH3HRH2HRH1
SCHEMBL5218628 0.78 HRH3 (0.62) HRH3HRH2HRH1
SCHEMBL5216361 0.77 HRH3 (0.61) HRH3HRH2HRH1
SCHEMBL5214494 0.77 HRH3 (0.60) HRH3HRH2HRH1

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-6620839-B2 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES 2003-09-16 US disclosed