SCHEMBL7978302

SCHEMBL7978302

CC(NC(=O)O)C(=O)N1CCN(CCCOc2ccc(Br)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 14/20 0.61
HRH1 P35367 14/20 0.61
RAB9A P51151 1/20 0.58
HRH3 Q9Y5N1 5/20 0.53
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL7243588 1.00 HRH2 (0.61) HRH2HRH1RAB9AHRH3KDM4E
SCHEMBL7245178 1.00 HRH2 (0.61) HRH2HRH1RAB9AHRH3KDM4E
SCHEMBL7250883 0.88 HRH2 (0.65) HRH2HRH1HRH3KDM4E
SCHEMBL7244782 0.88 HRH2 (0.65) HRH2HRH1HRH3KDM4E
SCHEMBL7244762 0.87 HRH2 (0.58) HRH2HRH1HRH3
SCHEMBL7251111 0.87 HRH2 (0.62) HRH2HRH1HRH3
SCHEMBL7979808 0.87 HRH2 (0.58) HRH2HRH1HRH3
SCHEMBL7246489 0.84 HRH2 (0.68) HRH2HRH1HRH3
SCHEMBL7251299 0.84 HRH2 (0.80) HRH2HRH1HRH3
SCHEMBL7250960 0.84 HRH2 (0.68) 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 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