SCHEMBL8997903

SCHEMBL8997903

CN(C)CCCCl.ClCCN1CCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.46
SLC6A4 P31645 9/20 0.38
SLC6A2 P23975 1/20 0.36

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
SCHEMBL8997826 1.00 HRH3 (0.46) HRH3SLC6A4SLC6A2
SCHEMBL8997944 0.98 HRH3 (0.44) HRH3SLC6A4
Hydrochloric Acid SCHEMBL8950232 0.88 HRH3 (0.41) HRH3
Hydrochloric Acid SCHEMBL8950284 0.88 HRH3 (0.41) HRH3
Hydrochloric Acid SCHEMBL8950352 0.86 TP53 (0.39) HRH3
Hydrochloric Acid SCHEMBL8950334 0.85 HRH3 (0.48) HRH3SLC6A4SLC6A2
SCHEMBL8997666 0.81 KEAP1 (0.41) HRH3
SCHEMBL7649376 0.81 HRH3 (0.56) HRH3SLC6A4
Hydrochloric Acid SCHEMBL27493872 0.80 ALOX15 (0.42) HRH3SLC6A4SLC6A2
SCHEMBL16312397 0.79 HRH3 (0.61) HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523303-A ANTIULCER AND -SECRETORY AGENTS; GASTRIC H+K+ ATPASE INHIBITORS; NONTOXIC; OXIMES DERIVATIVES EGIS GYOGYSZERGYAR RT. (HU) 1996-06-04 US disclosed
EP-0619298-A2 (Phenylmethylene)-2-(alkyl)-1- omega-(amino)-alkoxyimino -cycloalkane derivatives, a process for preparing them as well as medicaments containing them and the use of them EGIS GYOGYSZERGYAR RT. (HU) 1994-10-12 EP disclosed