SCHEMBL4734690

SCHEMBL4734690

NC(c1cccc(Br)c1)C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
OPRM1 P35372 5/20 0.42
OPRD1 P41143 5/20 0.42
OPRK1 P41145 5/20 0.42
OPRL1 P41146 5/20 0.42
IDO1 P14902 2/20 0.41
TDO2 P48775 1/20 0.41
KDM1A O60341 2/20 0.37
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL4742177 0.96 MBTD1 (0.42) MBTD1L3MBTL3OPRM1OPRD1OPRK1
SCHEMBL4742181 0.95 MBTD1 (0.41) MBTD1L3MBTL3OPRM1OPRD1OPRK1
SCHEMBL1419783 0.93 OPRM1 (0.43) MBTD1L3MBTL3OPRM1OPRD1OPRK1
SCHEMBL4520767 0.93 OPRM1 (0.43) MBTD1L3MBTL3OPRM1OPRD1OPRK1
SCHEMBL1551516 0.79 OPRL1 (0.52) OPRM1OPRD1OPRK1OPRL1IDO1
SCHEMBL18706553 0.79 SLC18A3 (0.44) MBTD1L3MBTL3IDO1TDO2SLC18A3
SCHEMBL18706778 0.77 SLC18A3 (0.43) MBTD1L3MBTL3IDO1SLC18A3SIGMAR1
SCHEMBL28106694 0.77 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1KDM1A
SCHEMBL2677106 0.77 IDO1 (0.50) OPRM1OPRD1OPRK1OPRL1IDO1
SCHEMBL11885874 0.77 IDO1 (0.50) OPRM1OPRD1OPRK1OPRL1IDO1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008063114-A9 AMINO- IMIDAZOLONES AND THEIR USE AS MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-09-04 WO disclosed
WO-2008063114-A1 AMINO- IMIDAZOLONES AND THEIR USE AS MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-05-29 WO disclosed
WO-2008063114-A1 AMINO- IMIDAZOLONES AND THEIR USE AS MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-05-29 WO disclosed