SCHEMBL6846690

SCHEMBL6846690

CC(=O)c1ccc(OCCC[C@@H]2CCN(NS(=O)(=O)c3ccc(F)cc3F)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.47
MAOB P27338 1/20 0.42
KCNH2 Q12809 1/20 0.41
HRH2 P25021 5/20 0.41
HRH1 P35367 5/20 0.41
KAT6A Q92794 1/20 0.39
TBXA2R P21731 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6846688 0.82 GPR119 (0.43) GPR119MAOBKCNH2HRH2HRH1
SCHEMBL6846770 0.80 HRH2 (0.46) GPR119HRH2HRH1L3MBTL1
SCHEMBL6848004 0.80 HRH2 (0.62) MAOBHRH2HRH1KAT6A
SCHEMBL6846779 0.80 HRH2 (0.44) GPR119HRH2HRH1L3MBTL1
SCHEMBL6848230 0.80 HRH2 (0.46) GPR119HRH2HRH1L3MBTL1
SCHEMBL6847427 0.79 HRH2 (0.62) GPR119HRH2HRH1
SCHEMBL6983618 0.78 HRH2 (0.61) MAOBHRH2HRH1
SCHEMBL5220974 0.77 P2RX7 (0.49) HRH2HRH1
SCHEMBL6842221 0.77 HRH2 (0.63) MAOBHRH2HRH1
SCHEMBL5213475 0.75 HRH2 (0.45) MAOBKCNH2HRH2HRH1

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-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