SCHEMBL6846770

SCHEMBL6846770

CC(=O)c1ccc(OCCC[C@@H]2CCN(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 7/20 0.46
HRH1 P35367 7/20 0.46
GPR119 Q8TDV5 4/20 0.44
HRH3 Q9Y5N1 2/20 0.43
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 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
SCHEMBL6847272 0.90 HRH2 (0.50) HRH2HRH1GPR119HRH3
SCHEMBL6847427 0.86 HRH2 (0.62) HRH2HRH1GPR119HRH3RAB9A
SCHEMBL6846779 0.84 HRH2 (0.44) HRH2HRH1GPR119HRH3L3MBTL1
SCHEMBL6846767 0.82 HRH3 (0.45) HRH2HRH1GPR119HRH3HDAC3
SCHEMBL6842229 0.81 SMN1; SMN2 (0.52)
SCHEMBL6846594 0.81 HRH2 (0.52) HRH2HRH1HRH3
SCHEMBL6847916 0.81 HRH2 (0.54) HRH2HRH1GPR119HRH3
SCHEMBL6848230 0.80 HRH2 (0.46) HRH2HRH1GPR119HRH3L3MBTL1
SCHEMBL6983618 0.80 HRH2 (0.61) HRH2HRH1HRH3
SCHEMBL6849210 0.80 HRH2 (0.61) HRH2HRH1HRH3RAB9A

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 4 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
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