SCHEMBL7966042

SCHEMBL7966042

C[C@H](C(=O)N1CCN(CCCOc2ccc(Br)cc2)CC1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 17/20 0.54
HRH1 P35367 17/20 0.54
RAB9A P51151 1/20 0.54
HRH3 Q9Y5N1 1/20 0.48
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD2 P14416 1/20 0.46

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
SCHEMBL7966022 1.00 HRH2 (0.54) HRH2HRH1RAB9AHRH3KDM4E
SCHEMBL7979503 0.89 HRH2 (0.58) HRH2HRH1HRH3KDM4EDRD2
SCHEMBL7966211 0.89 HRH2 (0.58) HRH2HRH1HRH3KDM4EDRD2
SCHEMBL7979778 0.85 HRH1 (0.61) HRH2HRH1HRH3
SCHEMBL7982418 0.81 HRH3 (0.47) HRH2HRH1HRH3
SCHEMBL7250885 0.80 HRH2 (0.71) HRH2HRH1RAB9AHRH3DRD2
SCHEMBL7244819 0.80 HRH2 (0.71) HRH2HRH1RAB9AHRH3DRD2
SCHEMBL7976330 0.80 HRH2 (0.71) HRH2HRH1RAB9AHRH3DRD2
SCHEMBL7245178 0.79 HRH2 (0.61) HRH2HRH1RAB9AHRH3KDM4E
SCHEMBL7978302 0.79 HRH2 (0.61) HRH2HRH1RAB9AHRH3KDM4E

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