SCHEMBL7979509

SCHEMBL7979509

CC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@](C)(NC(=O)O)C(C)(C)C)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 9/20 0.63
HRH1 P35367 9/20 0.63
KDM4E B2RXH2 1/20 0.57
HRH3 Q9Y5N1 8/20 0.53
DRD2 P14416 2/20 0.52

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
SCHEMBL7966219 1.00 HRH2 (0.63) HRH2HRH1KDM4EHRH3DRD2
SCHEMBL7966044 0.88 HRH2 (0.59) HRH2HRH1KDM4EHRH3DRD2
SCHEMBL7966024 0.88 HRH2 (0.59) HRH2HRH1KDM4EHRH3DRD2
SCHEMBL7978394 0.83 HRH2 (0.42) HRH2HRH1KDM4E
SCHEMBL7982423 0.80 HRH1 (0.43) HRH2HRH1HRH3DRD2
SCHEMBL7250883 0.77 HRH2 (0.65) HRH2HRH1KDM4EHRH3DRD2
SCHEMBL7244782 0.77 HRH2 (0.65) HRH2HRH1KDM4EHRH3DRD2
SCHEMBL6981478 0.75 KDM4E (0.89) HRH2HRH1KDM4EHRH3
SCHEMBL5213285 0.75 KDM4E (0.89) HRH2HRH1KDM4EHRH3
SCHEMBL491803 0.74 KDM4E (0.92) HRH2HRH1KDM4EHRH3

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 claimed