SCHEMBL30503541

SCHEMBL30503541

COc1nc(OC2CCC3(CC2)CN(C(=O)O)C3)ccc1Br

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.37
▸ POLB P06746 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.33
▸ PDCD1LG2 Q9BQ51 7/20 0.32
▸ CD274 Q9NZQ7 7/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ IKBKB O14920 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ GPR183 P32249 1/20 0.31
▸ HCRTR1 O43613 2/20 0.30
▸ HCRTR2 O43614 2/20 0.30
▸ ACACB O00763 1/20 0.30
▸ GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL26631319 1.00 DGAT1 (0.37) DGAT1POLBTDP1LRRK2PDCD1LG2
SCHEMBL29497388 0.86 DGAT1 (0.46) DGAT1GPR183ACACBGPR119
SCHEMBL29024808 0.86 DGAT1 (0.46) DGAT1GPR183ACACBGPR119
SCHEMBL25411527 0.86 CD274 (0.34) POLBTDP1PDCD1LG2CD274HCRTR1
SCHEMBL30503611 0.86 CD274 (0.34) POLBTDP1PDCD1LG2CD274HCRTR1
SCHEMBL25413318 0.84 DGAT1 (0.35) DGAT1POLBTDP1PDCD1LG2CD274
SCHEMBL25411360 0.81 DGAT1 (0.32) DGAT1IKBKBACACB
SCHEMBL30503535 0.81 DGAT1 (0.32) DGAT1IKBKBACACB
SCHEMBL29427092 0.81 DGAT1 (0.42) DGAT1ACACBGPR119
SCHEMBL26631355 0.78 FFAR4 (0.32) DGAT1ACACB

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-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 — — CN disclosed
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