SCHEMBL8635995

SCHEMBL8635995

CCCN1CCC(C(=O)NOc2ccc(Cc3ccccc3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 15/20 0.64
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
CCR8 P51685 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
SCHEMBL8639327 0.91 LTA4H (0.60) LTA4HNPC1LMNARAB9ASMN1; SMN2
SCHEMBL8640788 0.87 DRD3 (0.56) LTA4HL3MBTL1
SCHEMBL8641261 0.86 LTA4H (0.56) LTA4HNPC1LMNARAB9ASMN1; SMN2
SCHEMBL8637340 0.81 LTA4H (0.63) LTA4HCCR8
SCHEMBL8641251 0.80 DRD3 (0.52) LTA4HL3MBTL1
SCHEMBL7141718 0.78 LTA4H (1.00) LTA4H
SCHEMBL7141632 0.77 LTA4H (0.81) LTA4H
SCHEMBL8639534 0.73 LTA4H (0.58) LTA4H
SCHEMBL7140388 0.73 LTA4H (1.00) LTA4HNPC1RAB9A
SCHEMBL7139644 0.72 LTA4H (0.72) 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