SCHEMBL6847409

SCHEMBL6847409

CC(=O)c1ccc(OCCCC2CCCN2NC(=O)CSc2nccc(C)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
ALOX15 P16050 1/20 0.40
KDR P35968 1/20 0.40
MEN1 O00255 3/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 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
SCHEMBL6847414 0.84 KMT2A (0.43) KMT2AALOX15KDRMEN1HTT
SCHEMBL5215270 0.81 KDM4E (0.43) KMT2AALOX15KDRMEN1HTT
SCHEMBL6846808 0.76 KDM4E (0.49) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL6846632 0.73 HRH2 (0.60) SMN1; SMN2KDM4EPOLBLMNATSHR
SCHEMBL6848227 0.72 KDM4E (0.46) KMT2AMEN1KDM4EALDH1A1HRH2
SCHEMBL6842224 0.72 HRH2 (0.58) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL6847424 0.69 HRH2 (0.59) MEN1KDM4EALDH1A1MAPTHRH2
SCHEMBL6846767 0.68 HRH3 (0.45) KDM4EHRH2HRH1
SCHEMBL6846776 0.68 HCRTR1 (0.46) SMN1; SMN2KDM4EALDH1A1HRH2HRH1
SCHEMBL5220966 0.67 P2RX7 (0.49) HRH2HRH1

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 6 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
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