SCHEMBL29623587

SCHEMBL29623587

CN1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPL P06858 5/20 0.41
LIPG Q9Y5X9 5/20 0.41
DRD1 P21728 7/20 0.40
DRD5 P21918 7/20 0.40
DRD2 P14416 6/20 0.40
DRD3 P35462 6/20 0.40
BACE1 P56817 1/20 0.40
DRD4 P21917 4/20 0.40
ROCK1 Q13464 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38

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
SCHEMBL13144727 1.00 LPL (0.41) LPLLIPGDRD1DRD5DRD2
SCHEMBL586404 0.95 MAOA (0.46) LPLLIPGDRD1DRD5DRD2
SCHEMBL29421599 0.95 MAOA (0.46) LPLLIPGDRD1DRD5DRD2
SCHEMBL29623555 0.94 MAOA (0.43) LPLLIPGDRD1DRD5DRD2
SCHEMBL586732 0.94 MAOA (0.43) LPLLIPGDRD1DRD5DRD2
SCHEMBL29502333 0.88 LPL (0.47) LPLLIPGBACE1ROCK1
SCHEMBL16639375 0.88 LPL (0.47) LPLLIPGBACE1ROCK1
SCHEMBL13356015 0.88 LPL (0.39) LPLLIPGBACE1ROCK1
SCHEMBL5781980 0.85 LPL (0.46) LPLLIPGBACE1
SCHEMBL4158988 0.85 LPL (0.44) LPLLIPGBACE1ROCK1

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
CN-110713489-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-05-31 CN disclosed
CN-110183440-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-04-22 CN disclosed