SCHEMBL6016736

SCHEMBL6016736

OC1CCN(CCCOCCc2ccc3cocc3c2)C1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.55
HRH3 Q9Y5N1 13/20 0.47
HRH2 P25021 3/20 0.42
HRH1 P35367 3/20 0.42
LTA4H P09960 1/20 0.41
ACHE P22303 1/20 0.39
HTR1A P08908 1/20 0.38

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
SCHEMBL48071 0.82 LTA4H (0.55) SIGMAR1HRH3HRH2HRH1LTA4H
SCHEMBL48168 0.82 SIGMAR1 (0.53) SIGMAR1HRH3HRH2HRH1LTA4H
Hydrochloric Acid SCHEMBL47945 0.81 SIGMAR1 (0.53) SIGMAR1HRH3HRH2HRH1LTA4H
SCHEMBL48249 0.80 SIGMAR1 (0.85) SIGMAR1HRH3HRH2HRH1LTA4H
Hydrochloric Acid SCHEMBL47919 0.79 SIGMAR1 (0.84) SIGMAR1HRH3HRH2HRH1LTA4H
SCHEMBL48084 0.79 SIGMAR1 (0.49) SIGMAR1HRH3HRH2HRH1LTA4H
SCHEMBL6016665 0.78 SLC6A4 (0.38) SIGMAR1HRH3
Oxalic Acid SCHEMBL48216 0.78 LTA4H (0.53) SIGMAR1HRH3LTA4H
SCHEMBL48269 0.76 SIGMAR1 (0.80) SIGMAR1HRH3HRH2HRH1LTA4H
SCHEMBL47814 0.76 SIGMAR1 (0.66) SIGMAR1HRH3HRH2HRH1LTA4H

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
EP-1614419-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2006-01-11 EP disclosed