SCHEMBL14970716

SCHEMBL14970716

CCc1ccc(OCCN2CCCCCC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.80
PSMB1 P20618 4/20 0.76
PSMB5 P28074 4/20 0.76
PSMB2 P49721 3/20 0.76
LTA4H P09960 7/20 0.68
KDM4E B2RXH2 2/20 0.66
ALDH1A1 P00352 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66

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
SCHEMBL8122915 1.00 HRH3 (0.80) HRH3PSMB1PSMB5PSMB2LTA4H
Hydrochloric Acid SCHEMBL14966041 0.98 HRH3 (0.78) HRH3PSMB1PSMB5PSMB2LTA4H
SCHEMBL301254 0.98 HRH3 (0.77) HRH3PSMB1PSMB5PSMB2LTA4H
SCHEMBL491935 0.92 HRH3 (0.88) HRH3
SCHEMBL5857787 0.90 HRH3 (0.86) HRH3
Hydrochloric Acid SCHEMBL9061899 0.90 HRH3 (0.86) HRH3
SCHEMBL17308548 0.90 HRH3 (0.85) HRH3
SCHEMBL10895401 0.87 HRH3 (0.72) HRH3PSMB1PSMB5PSMB2LTA4H
SCHEMBL10899705 0.87 HRH3 (0.72) HRH3PSMB1PSMB5PSMB2LTA4H
SCHEMBL8427936 0.87 LTA4H (0.70) HRH3PSMB1PSMB5PSMB2LTA4H

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-2013074965-A1 AMINOALKYL PHENOL ETHER INHIBITORS OF INFLUENZA A VIRUS MICROBIOTIX, INC. (US) 2013-05-23 WO disclosed