SCHEMBL4535960

SCHEMBL4535960

NC(=O)CC1CCN([C]2CCCCCCC2)CC1.[CH2].[CH2]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.34
JAK2 O60674 1/20 0.33
HSD11B1 P28845 1/20 0.33
DGAT1 O75907 1/20 0.32
TSHR P16473 2/20 0.32
VNN1 O95497 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
TPSAB1 Q15661 1/20 0.31
TPSD1 Q9BZJ3 1/20 0.31
TPSG1 Q9NRR2 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CDK4 P11802 1/20 0.30

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
SCHEMBL4537514 0.90 LTA4H (0.38) LTA4HJAK2HSD11B1TSHRALDH1A1
SCHEMBL4542368 0.83 EIF2AK4 (0.39) LTA4HL3MBTL1KDM4EALDH1A1
SCHEMBL4541407 0.72 FFAR1 (0.36) TSHRL3MBTL1ALDH1A1
SCHEMBL29291470 0.71 EPHX1 (0.50)
SCHEMBL29291474 0.71 EPHX1 (0.50)
SCHEMBL20379771 0.71 EPHX1 (0.50)
SCHEMBL1327157 0.71 EPHX1 (0.50)
SCHEMBL24986 0.71 EPHX1 (0.50)
SCHEMBL4536683 0.71 FFAR1 (0.33) TSHRL3MBTL1
SCHEMBL22266187 0.70 L3MBTL1 (0.55) LTA4HTSHRL3MBTL1ALDH1A1

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-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed