SCHEMBL21983574

SCHEMBL21983574

CC(C)(C)OC(=O)N1CC12CCNCC2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.37
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
NR1H2 P55055 3/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
MAPK1 P28482 1/20 0.32
EPHX1 P07099 1/20 0.32
CTSK P43235 1/20 0.32
NR1H3 Q13133 1/20 0.31
EPHX2 P34913 1/20 0.31
HPGD P15428 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
SCHEMBL3706160 0.85 JAK3 (0.38) JAK3USP2SMN1; SMN2GRIN2BGRIN2C
SCHEMBL700241 0.82 JAK3 (0.43) JAK3USP2SMN1; SMN2GRIN2BGRIN2C
SCHEMBL15286428 0.81 JAK3 (0.46) JAK3USP2SMN1; SMN2GRIN2BGRIN2C
Hydrochloric Acid SCHEMBL19582520 0.81 JAK3 (0.43) JAK3USP2SMN1; SMN2GRIN2BGRIN2C
Hydrochloric Acid SCHEMBL15288269 0.80 JAK3 (0.45) JAK3USP2SMN1; SMN2GRIN2BGRIN2C
SCHEMBL14762409 0.80 JAK3 (0.42) JAK3USP2SMN1; SMN2GRIN2BGRIN2C
SCHEMBL24491096 0.79 JAK3 (0.37) JAK3USP2SMN1; SMN2GRIN2BGRIN2C
SCHEMBL26848595 0.79 JAK3 (0.37) JAK3USP2SMN1; SMN2GRIN2BGRIN2C
Oxalic Acid SCHEMBL3984766 0.79 JAK3 (0.41) JAK3USP2SMN1; SMN2GRIN2BGRIN2C
SCHEMBL17608804 0.79 USP2 (0.46) JAK3USP2SMN1; SMN2GRIN2BGRIN2C

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-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 EP disclosed
EP-3647311-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2020-05-06 EP disclosed