SCHEMBL6986434

SCHEMBL6986434

N#Cc1ccc(-c2ccc(OCCC[C@@H]3CCN(NC(=O)c4ccco4)C3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.46
HRH2 P25021 12/20 0.46
HRH1 P35367 12/20 0.46
CHRM4 P08173 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MMP3 P08254 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 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
SCHEMBL6986426 0.86 HRH2 (0.49) HRH3HRH2HRH1CHRM4MMP3
SCHEMBL6984761 0.83 HRH2 (0.49) HRH3HRH2HRH1MMP3HDAC1
SCHEMBL7134601 0.82 HRH2 (0.46) HRH3HRH2HRH1CHRM4MMP3
SCHEMBL6847378 0.81 HRH2 (0.46) HRH3HRH2HRH1
SCHEMBL6987144 0.81 HRH3 (0.49) HRH3HRH2HRH1MMP3HDAC1
SCHEMBL6980404 0.80 HRH3 (0.50) HRH3HRH2HRH1ALDH1A1MMP3
SCHEMBL6983118 0.79 HRH3 (0.46) HRH3HRH2HRH1MMP3HDAC1
SCHEMBL6842225 0.79 HRH2 (0.59) HRH3HRH2HRH1ALDH1A1MAPT
SCHEMBL6985870 0.76 HRH2 (0.47) HRH3HRH2HRH1
SCHEMBL6981316 0.76 HRH2 (0.44) 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 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 claimed
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 claimed