SCHEMBL4742181

SCHEMBL4742181

NC(c1cccc(Br)c1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
IDO1 P14902 3/20 0.41
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
OPRL1 P41146 3/20 0.41
TDO2 P48775 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM1A O60341 1/20 0.36

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 0.98 MBTD1 (0.42) MBTD1L3MBTL3IDO1OPRM1OPRD1
SCHEMBL4734690 0.95 MBTD1 (0.42) MBTD1L3MBTL3IDO1OPRM1OPRD1
SCHEMBL4520767 0.91 OPRM1 (0.43) MBTD1L3MBTL3IDO1OPRM1OPRD1
SCHEMBL1419783 0.91 OPRM1 (0.43) MBTD1L3MBTL3IDO1OPRM1OPRD1
SCHEMBL18706778 0.83 SLC18A3 (0.43) MBTD1L3MBTL3IDO1MEN1KMT2A
SCHEMBL18706553 0.81 SLC18A3 (0.44) MBTD1L3MBTL3IDO1TDO2MEN1
SCHEMBL11341778 0.81 OPRL1 (0.55) OPRM1OPRD1OPRK1OPRL1
SCHEMBL27336292 0.79 MBTD1 (0.48) MBTD1L3MBTL3IDO1
SCHEMBL30747365 0.79 OPRL1 (0.56) OPRM1OPRD1OPRK1OPRL1
SCHEMBL26648907 0.79 OPRL1 (0.56) OPRM1OPRD1OPRK1OPRL1

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 4 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-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