SCHEMBL6982371

SCHEMBL6982371

CN(C(=O)c1ccc(F)cc1)N1CC[C@@H](CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.46
HRH2 P25021 10/20 0.46
HRH1 P35367 10/20 0.46
GPR119 Q8TDV5 2/20 0.42
NSD2 O96028 2/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MCHR1 Q99705 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
SCHEMBL6842171 0.95 HRH3 (0.49) HRH3HRH2HRH1GPR119MMP2
SCHEMBL6842222 0.91 HRH3 (0.46) HRH3HRH2HRH1NSD2MMP2
SCHEMBL6978713 0.85 HRH3 (0.50) HRH3HRH2HRH1MMP2MMP3
SCHEMBL6983478 0.83 HRH3 (0.48) HRH3HRH2HRH1MMP2MMP3
SCHEMBL6985772 0.82 HRH3 (0.47) HRH3HRH2HRH1GPR119MMP2
SCHEMBL7134601 0.80 HRH2 (0.46) HRH3HRH2HRH1MMP3
SCHEMBL6987517 0.77 HRH3 (0.48) HRH3HRH2HRH1MMP2MMP3
SCHEMBL5215420 0.75 HRH3 (0.57) HRH3HRH2HRH1
SCHEMBL6987144 0.75 HRH3 (0.49) HRH3HRH2HRH1MMP2MMP3
SCHEMBL6986426 0.74 HRH2 (0.49) HRH3HRH2HRH1MMP2MMP3

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