SCHEMBL8639327

SCHEMBL8639327

CCN1CCC(C(=O)NOc2ccc(Cc3ccccc3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 12/20 0.60
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CCR8 P51685 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL8641261 0.93 LTA4H (0.56) LTA4HRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL8635995 0.91 LTA4H (0.64) LTA4HRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL8641251 0.86 DRD3 (0.52) LTA4HL3MBTL1
SCHEMBL8641935 0.81 LTA4H (0.61) LTA4HSMN1; SMN2CCR8
SCHEMBL8640788 0.80 DRD3 (0.56) LTA4HL3MBTL1
SCHEMBL8639534 0.80 LTA4H (0.58) LTA4H
SCHEMBL8637394 0.79 LTA4H (0.52) LTA4HRAB9ANPC1LMNA
SCHEMBL8644360 0.79 LTA4H (0.50) LTA4HSMN1; SMN2NPC1
SCHEMBL8644158 0.75 LTA4H (0.60) LTA4HL3MBTL1
SCHEMBL7141718 0.75 LTA4H (1.00) LTA4H

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