SCHEMBL7978201

SCHEMBL7978201

N[C@H](Cc1ccncc1)C(=O)N1CCN(CCCOC2=CC[CH]C=C2)CC1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 16/20 0.58
HRH1 P35367 16/20 0.58
AKT1 P31749 1/20 0.43
OPRK1 P41145 3/20 0.41

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
SCHEMBL7980024 0.85 HRH2 (0.51) HRH2HRH1
SCHEMBL7978323 0.82 HRH2 (0.54) HRH2HRH1
SCHEMBL7982448 0.80 HRH2 (0.52) HRH2HRH1
SCHEMBL7979796 0.73 HRH2 (0.63) HRH2HRH1OPRK1
SCHEMBL7242978 0.73 HRH2 (1.00) HRH2HRH1
SCHEMBL7252046 0.73 HRH2 (1.00) HRH2HRH1
SCHEMBL7966014 0.73 HRH2 (0.63) HRH2HRH1OPRK1
SCHEMBL4213022 0.71 AKT1 (0.54) HRH2HRH1AKT1
SCHEMBL10180336 0.71 AKT1 (0.54) HRH2HRH1AKT1
SCHEMBL4213020 0.71 AKT1 (0.54) HRH2HRH1AKT1

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