SCHEMBL6847232

SCHEMBL6847232

CC(=O)Nc1ccc(S(=O)(=O)NN2CCCC2CCCOc2ccc(C(=O)C3CC3)cc2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 15/20 0.44
HRH1 P35367 15/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 2/20 0.40
MAOB P27338 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL6847435 0.90 HRH2 (0.47) HRH2HRH1MAOBHRH3
SCHEMBL5218123 0.89 HRH2 (0.48) HRH2HRH1MAOBHRH3
SCHEMBL6847505 0.87 HRH2 (0.48) HRH2HRH1MAOBHRH3
SCHEMBL6848832 0.85 HRH2 (0.59) HRH2HRH1MAOBHRH3
SCHEMBL6847234 0.84 ALDH1A1 (0.47) HRH2HRH1ALDH1A1KMT2AMEN1
SCHEMBL6848186 0.84 ALDH1A1 (0.39) ALDH1A1KMT2AHRH3
SCHEMBL6847912 0.84 HRH2 (0.51) HRH2HRH1MAOBHRH3
SCHEMBL6848752 0.84 HRH2 (0.61) HRH2HRH1MAOBHRH3
SCHEMBL6846776 0.83 HCRTR1 (0.46) HRH2HRH1ALDH1A1HRH3
SCHEMBL6847370 0.83 HRH2 (0.59) HRH2HRH1MAOBHRH3

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-1467727-A1 1,3-DISUBSTITUTED AND 1,3,3,-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS Abbott Laboratories (US) 2004-10-20 EP disclosed
WO-2003059341-A1 1,3-DISUBSTITUTED AND 1,3,3,-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-07-24 WO disclosed