SCHEMBL28619862

SCHEMBL28619862

NC(=O)C1CCN(CCOc2ccc(Cl)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.70
MCHR1 Q99705 1/20 0.69
HRH3 Q9Y5N1 7/20 0.63
SIGMAR1 Q99720 2/20 0.63
ALDH1A1 P00352 2/20 0.60
GAA P10253 1/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
PTGS2 P35354 1/20 0.56
KCNA5 P22460 1/20 0.55

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
SCHEMBL12440407 0.87 MCHR1 (0.75) LTA4HMCHR1HRH3SIGMAR1ALDH1A1
SCHEMBL7403686 0.86 LTA4H (0.70) LTA4HMCHR1HRH3ALDH1A1KMT2A
SCHEMBL14204982 0.86 LTA4H (0.81) LTA4HHRH3SIGMAR1KCNA5
SCHEMBL11251038 0.86 GAA (0.55) LTA4HMCHR1HRH3ALDH1A1GAA
SCHEMBL7138419 0.84 LTA4H (0.78) LTA4HHRH3SIGMAR1
SCHEMBL5709502 0.84 SIGMAR1 (0.60) LTA4HMCHR1HRH3SIGMAR1ALDH1A1
SCHEMBL4528896 0.83 MCHR1 (1.00) MCHR1
SCHEMBL7140388 0.82 LTA4H (1.00) LTA4H
SCHEMBL19692527 0.82 DRD2 (0.58) LTA4HHRH3SIGMAR1ALDH1A1MEN1
SCHEMBL30165633 0.82 L3MBTL1 (0.66) MCHR1HRH3ALDH1A1MEN1KMT2A

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
CN-109563071-B Chemical compounds as inhibitors of the ATF4pathway 葛兰素史密斯克莱知识产权发展有限公司 2021-08-03 CN disclosed