SCHEMBL8933102

SCHEMBL8933102

[CH2]CCc1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 11/20 0.72
PSMB1 P20618 2/20 0.69
PSMB5 P28074 2/20 0.69
PSMB2 P49721 2/20 0.69
HRH3 Q9Y5N1 7/20 0.67

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
SCHEMBL8932975 0.91 HRH3 (0.82) HRH3
SCHEMBL2823916 0.91 HRH3 (0.82) HRH3
SCHEMBL7134882 0.84 LTA4H (1.00) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL15876475 0.84 LTA4H (0.72) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL9056254 0.84 HRH3 (0.83) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL10896960 0.84 LTA4H (0.72) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL2824040 0.83 HRH3 (0.83) HRH3
SCHEMBL23291141 0.83 PSMB1 (0.71) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL6655030 0.83 HRH3 (0.74) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL15876462 0.83 PSMB1 (0.71) LTA4HPSMB1PSMB5PSMB2HRH3

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-1996023791-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-08-08 WO claimed