SCHEMBL7979778

SCHEMBL7979778

C[C@H](C(=O)N1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)CC1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 17/20 0.61
HRH2 P25021 16/20 0.61
HRH3 Q9Y5N1 14/20 0.61
KCNA5 P22460 1/20 0.48
MEN1 O00255 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
SCHEMBL7245055 0.88 HRH1 (0.64) HRH1HRH2HRH3KCNA5
SCHEMBL7966022 0.85 HRH2 (0.54) HRH1HRH2HRH3
SCHEMBL7966042 0.85 HRH2 (0.54) HRH1HRH2HRH3
SCHEMBL7966211 0.85 HRH2 (0.58) HRH1HRH2HRH3
SCHEMBL7979503 0.85 HRH2 (0.58) HRH1HRH2HRH3
SCHEMBL7245429 0.83 KCNA5 (0.57) HRH1HRH2HRH3KCNA5
SCHEMBL7242852 0.82 HRH1 (0.70) HRH1HRH2HRH3
SCHEMBL7250960 0.81 HRH2 (0.68) HRH1HRH2HRH3KCNA5
SCHEMBL7246489 0.81 HRH2 (0.68) HRH1HRH2HRH3KCNA5
SCHEMBL7248885 0.81 HRH1 (0.67) HRH1HRH2HRH3

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