SCHEMBL4564283

SCHEMBL4564283

NC(=O)CCOCCc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.54
CDYL Q9Y232 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PARP10 Q53GL7 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
KDM4E B2RXH2 2/20 0.44
FFAR1 O14842 1/20 0.43
AKR1B1 P15121 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
COPS5 Q92905 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL1180264 0.86 TDP1 (0.56) MTNR1ACDYLTDP1MEN1KMT2A
SCHEMBL4510057 0.85 TDP1 (0.54) MTNR1ACDYLTDP1MEN1KMT2A
SCHEMBL961507 0.84 MTNR1A (0.63) MTNR1ACDYLTDP1MEN1KMT2A
SCHEMBL586305 0.83 CYP1A2 (0.52) MTNR1ACDYLTDP1AKR1B1
SCHEMBL1284856 0.82 MTNR1A (0.62) MTNR1ATDP1MEN1KMT2APARP10
Naphthalene SCHEMBL1848110 0.80 FFAR4 (0.50) MTNR1ACDYLTDP1KMT2AFFAR4
SCHEMBL6421722 0.80 MTNR1A (0.58) MTNR1ACDYLTDP1MEN1KMT2A
SCHEMBL14966254 0.80 FDPS (0.39) MTNR1ATDP1MEN1KMT2AKDM4E
SCHEMBL2366865 0.79 CDYL (0.48) MTNR1ACDYLTDP1FFAR4KDM4E
SCHEMBL4521520 0.79 MTNR1A (0.45) MTNR1ACDYLTDP1MEN1KMT2A

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
EP-2118084-A1 SALTS 668 AstraZeneca AB (SE) 2009-11-18 EP disclosed
WO-2008096112-A1 SALTS 668 ASTRAZENECA AB (SE) 2008-08-14 WO disclosed