SCHEMBL7982423

SCHEMBL7982423

CC(C)(C)[C@@](C)(NC(=O)O)C(=O)N1CCN(CCCOc2ccc(C(N)=O)c(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 0.43
HRH2 P25021 7/20 0.43
HRH3 Q9Y5N1 2/20 0.43
ATF4 P18848 2/20 0.42
GPR119 Q8TDV5 1/20 0.42
MAOB P27338 3/20 0.41
DRD2 P14416 2/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
PARP10 Q53GL7 2/20 0.40
PARP15 Q460N3 1/20 0.40
MET P08581 1/20 0.40

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
SCHEMBL7966044 0.81 HRH2 (0.59) HRH1HRH2HRH3DRD2
SCHEMBL7966024 0.81 HRH2 (0.59) HRH1HRH2HRH3DRD2
SCHEMBL7966219 0.80 HRH2 (0.63) HRH1HRH2HRH3DRD2
SCHEMBL7979509 0.80 HRH2 (0.63) HRH1HRH2HRH3DRD2
SCHEMBL7245015 0.80 HRH3 (0.59) HRH3
SCHEMBL7982418 0.77 HRH3 (0.47) HRH1HRH2HRH3GPR119
SCHEMBL14367415 0.73 ATF4 (0.48) HRH1HRH3ATF4MAOBDRD2
SCHEMBL7246306 0.72 GPR119 (0.49) HRH1HRH2HRH3GPR119MAOB
SCHEMBL7246309 0.72 GPR119 (0.49) HRH1HRH2HRH3GPR119MAOB
Hydrochloric Acid SCHEMBL1714803 0.72 ATF4 (0.47) HRH1HRH3ATF4MAOBDRD2

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