SCHEMBL6847414

SCHEMBL6847414

CC(=O)c1ccc(OCCC[C@@H]2CCN(NC(=O)CSc3nccc(C)n3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
ALOX15 P16050 1/20 0.39
KDR P35968 1/20 0.39
HRH2 P25021 3/20 0.39
HRH1 P35367 3/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL6847409 0.84 KMT2A (0.42) KMT2AALOX15KDRHRH2HRH1
SCHEMBL5215270 0.77 KDM4E (0.43) KMT2AALOX15KDRHRH2HRH1
SCHEMBL6846813 0.76 HRH2 (0.48) KMT2AHRH2HRH1MEN1KDM4E
SCHEMBL6846641 0.74 HRH2 (0.61) HRH2HRH1HRH3
SCHEMBL6842225 0.72 HRH2 (0.59) HRH2HRH1ALDH1A1MAPTHRH3
SCHEMBL6848230 0.70 HRH2 (0.46) KMT2AHRH2HRH1MEN1KDM4E
SCHEMBL6847427 0.68 HRH2 (0.62) HRH2HRH1ALDH1A1MAPTRAB9A
SCHEMBL6846779 0.67 HRH2 (0.44) HRH2HRH1RAB9AHRH3
SCHEMBL6846770 0.67 HRH2 (0.46) HRH2HRH1RAB9AHRH3
SCHEMBL5220974 0.67 P2RX7 (0.49) 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 4 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
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