SCHEMBL27448488

SCHEMBL27448488

[CH2]CCCCc1cccc2c[nH]cc12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 4/20 0.33
MTNR1A P48039 2/20 0.33
MCL1 Q07820 2/20 0.32
GPR84 Q9NQS5 1/20 0.32
DAO P14920 1/20 0.31
MPO P05164 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL7536240 0.84 TLR8 (0.43) MCL1
SCHEMBL30239860 0.82 TAAR1 (0.39) MCL1
SCHEMBL3818954 0.81 TDP1 (0.33)
SCHEMBL134471 0.79 CYP1A2 (0.48) SIGMAR1MTNR1AMCL1GPR84SLC6A4
SCHEMBL5159102 0.78 MEN1 (0.60) MEN1KMT2AMTNR1AMCL1
SCHEMBL302931 0.78 CYP1A2 (0.47) SIGMAR1MTNR1AMCL1GPR84SLC6A4
SCHEMBL303705 0.78 CYP1A2 (0.47) SIGMAR1MTNR1AMCL1GPR84SLC6A4
SCHEMBL303785 0.78 CYP1A2 (0.47) SIGMAR1MTNR1AMCL1GPR84SLC6A4
SCHEMBL304711 0.78 CYP1A2 (0.47) SIGMAR1MTNR1AMCL1GPR84SLC6A4
SCHEMBL303608 0.78 CYP1A2 (0.47) SIGMAR1MTNR1AMCL1GPR84SLC6A4

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-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed