SCHEMBL7982138

SCHEMBL7982138

CC(=O)CCCCc1ccc(OCCCN2CCN(C(=O)CCN)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 8/20 0.61
HRH1 P35367 8/20 0.61
SIGMAR1 Q99720 5/20 0.61
ADORA3 P0DMS8 1/20 0.50
HTR2A P28223 1/20 0.50
HTR7 P34969 1/20 0.50
OPRM1 P35372 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HRH3 Q9Y5N1 2/20 0.48
DRD2 P14416 2/20 0.47
ME2 P23368 1/20 0.47
ME1 P48163 1/20 0.47
ME3 Q16798 1/20 0.47

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
SCHEMBL7979703 0.84 HRH2 (0.66) HRH2HRH1HRH3
SCHEMBL7976458 0.82 HRH2 (0.67) HRH2HRH1HRH3
SCHEMBL7982282 0.81 HRH2 (0.68) HRH2HRH1HRH3
SCHEMBL7243576 0.81 HRH2 (0.70) HRH2HRH1SIGMAR1KDM4EMEN1
SCHEMBL7244127 0.79 HRH2 (0.86) HRH2HRH1
SCHEMBL7245149 0.76 HRH1 (0.68) HRH2HRH1HRH3
SCHEMBL492219 0.76 HRH3 (0.75) KDM4EMEN1KMT2AHRH3
SCHEMBL2628226 0.74 FFAR1 (0.52) MEN1KMT2A
SCHEMBL25090009 0.73 HRH2 (0.60) HRH2HRH1HRH3DRD2ME2
SCHEMBL23291268 0.72 HRH3 (0.64) HRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001066534-A2 CYCLIC AND BICYCLIC DIAMINO HISTAMINE-3 RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2001-09-13 WO disclosed