SCHEMBL7979285

SCHEMBL7979285

CC[C@@H](N)C(=O)N1CCN([C@H](C)CCOc2cc[c]cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 13/20 0.48
HRH1 P35367 13/20 0.48
HRH3 Q9Y5N1 4/20 0.40
SIGMAR1 Q99720 2/20 0.39
DRD3 P35462 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL7243633 0.82 HRH2 (0.72) HRH2HRH1HRH3
SCHEMBL7979288 0.76 HRH2 (0.38) HRH2HRH1HRH3DRD3
SCHEMBL7246172 0.75 HRH2 (0.74) HRH2HRH1HRH3
SCHEMBL7250277 0.72 HRH2 (0.72) HRH2HRH1HRH3
SCHEMBL25910102 0.69 CHRM1 (0.44) HRH2HRH1HRH3
SCHEMBL14148845 0.68
SCHEMBL11376987 0.68 ITGB3 (0.46)
SCHEMBL11381970 0.68 ITGB3 (0.46)
SCHEMBL7248835 0.67 HRH2 (0.45) HRH2HRH1HRH3DRD3MEN1
SCHEMBL7252070 0.67 HRH2 (0.52) 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