SCHEMBL6987144

SCHEMBL6987144

CN(C)C(=O)NN1CC[C@@H](CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.49
HRH2 P25021 14/20 0.49
HRH1 P35367 14/20 0.49
MMP2 P08253 3/20 0.48
MMP3 P08254 3/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL6984761 0.89 HRH2 (0.49) HRH3HRH2HRH1MMP2MMP3
SCHEMBL6986426 0.86 HRH2 (0.49) HRH3HRH2HRH1MMP2MMP3
SCHEMBL6983118 0.85 HRH3 (0.46) HRH3HRH2HRH1MMP2MMP3
SCHEMBL7134601 0.82 HRH2 (0.46) HRH3HRH2HRH1MMP3
SCHEMBL6980404 0.82 HRH3 (0.50) HRH3HRH2HRH1MMP3
SCHEMBL6978713 0.81 HRH3 (0.50) HRH3HRH2HRH1MMP2MMP3
SCHEMBL6986434 0.81 HRH3 (0.46) HRH3HRH2HRH1MMP3HDAC1
SCHEMBL6842225 0.80 HRH2 (0.59) HRH3HRH2HRH1
SCHEMBL6985870 0.80 HRH2 (0.47) HRH3HRH2HRH1
SCHEMBL6847378 0.79 HRH2 (0.46) 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