SCHEMBL5220974

SCHEMBL5220974

CC(=O)c1ccc(OCCC[C@@H]2CCN(NS(=O)(=O)c3cccc4cnccc34)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.49
HRH2 P25021 2/20 0.43
HRH1 P35367 2/20 0.43
ROCK2 O75116 5/20 0.41
ROCK1 Q13464 5/20 0.41
HRH3 Q9Y5N1 3/20 0.40
PRKD3 O94806 2/20 0.40
PRKCG P05129 2/20 0.40
PRKCB P05771 2/20 0.40
PRKCA P17252 2/20 0.40
PRKCH P24723 2/20 0.40
PRKCI P41743 2/20 0.40
PRKCE Q02156 2/20 0.40
PRKCQ Q04759 2/20 0.40
PRKCZ Q05513 2/20 0.40
PRKCD Q05655 2/20 0.40
PRKD1 Q15139 2/20 0.40
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 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
SCHEMBL6848007 0.85 HRH2 (0.43) HRH2HRH1HRH3
SCHEMBL5220966 0.84 P2RX7 (0.49) P2RX7HRH2HRH1HRH3PRKD3
SCHEMBL5214563 0.78 P2RX7 (0.49) P2RX7HRH2HRH1HRH3PRKD3
SCHEMBL6847911 0.77 HPGD (0.46) HRH2HRH1
SCHEMBL6846690 0.77 GPR119 (0.47) HRH2HRH1
SCHEMBL6848230 0.76 HRH2 (0.46) HRH2HRH1HRH3
SCHEMBL6846641 0.75 HRH2 (0.61) HRH2HRH1HRH3
SCHEMBL6847427 0.75 HRH2 (0.62) HRH2HRH1HRH3
SCHEMBL6847540 0.74 HRH2 (0.62) HRH2HRH1HRH3
SCHEMBL6846770 0.74 HRH2 (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301480-B1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LAB (US) 2007-09-12 EP claimed
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