SCHEMBL8635992

SCHEMBL8635992

CCCN1CCC(C(N)=O)CC1Oc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 15/20 0.54
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 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
SCHEMBL8639324 0.91 LTA4H (0.54) LTA4HNPC1RAB9ACYP2C19SMN1; SMN2
SCHEMBL8641938 0.82 LTA4H (0.52) LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL8637399 0.80 LTA4H (0.47) LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL8639588 0.78 LTA4H (0.48) LTA4H
Benzene SCHEMBL8637783 0.78 LTA4H (0.48) LTA4H
SCHEMBL8639583 0.78 LTA4H (0.46) LTA4HNPC1RAB9ACYP2C19SMN1; SMN2
SCHEMBL8637456 0.77 LTA4H (0.46) LTA4H
SCHEMBL8640787 0.77 LTA4H (0.48) LTA4HNPC1RAB9A
SCHEMBL8642217 0.74 LTA4H (0.42) LTA4H
SCHEMBL8641861 0.74 LTA4H (0.47) LTA4HNPC1RAB9A

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-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed