SCHEMBL6987544

SCHEMBL6987544

N#Cc1ccc(-c2ccc(OCCC[C@@H]3CCN(NS(=O)(=O)c4ccc(F)cc4)C3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 16/20 0.43
HRH1 P35367 16/20 0.43
HRH3 Q9Y5N1 13/20 0.43
UCHL1 P09936 1/20 0.42
KCNH2 Q12809 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL6985870 0.95 HRH2 (0.47) HRH2HRH1HRH3
SCHEMBL6987337 0.91 HRH2 (0.45) HRH2HRH1HRH3
SCHEMBL6847679 0.91 GPR119 (0.48) HRH2HRH1HRH3
SCHEMBL6981316 0.91 HRH2 (0.44) HRH2HRH1HRH3
SCHEMBL6847335 0.90 USP30 (0.42) HRH2HRH1HRH3KCNH2
SCHEMBL6842485 0.89 HRH2 (0.45) HRH2HRH1HRH3KCNH2HTR1A
SCHEMBL6848079 0.88 HRH2 (0.44) HRH2HRH1HRH3UCHL1
SCHEMBL6846556 0.88 HRH2 (0.39) HRH2HRH1HRH3KCNH2
SCHEMBL6987654 0.86 HRH2 (0.41) HRH2HRH1HRH3
SCHEMBL6847471 0.86 HRH3 (0.42) HRH2HRH1HRH3

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-1301480-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-04-16 EP disclosed
WO-2002006223-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-01-24 WO disclosed