SCHEMBL31053191

SCHEMBL31053191

Cn1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.58
GRM5 P41594 11/20 0.58
PDK4 Q16654 1/20 0.53
NAMPT P43490 1/20 0.49
HTR6 P50406 1/20 0.46
JAK1 P23458 1/20 0.46
TNK2 Q07912 2/20 0.45
GPR119 Q8TDV5 1/20 0.45
WNT3A P56704 1/20 0.44

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
SCHEMBL4936899 0.84 GRM1 (0.55) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL30308912 0.82 GRM1 (0.64) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL31227002 0.81 GRM1 (0.69) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL28672701 0.81 JMJD6 (0.41) GRM1GRM5
SCHEMBL31053177 0.81 GRM1 (0.53) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL29946045 0.80 GRM1 (0.56) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL25723283 0.80 GRM1 (0.46) GRM1GRM5PDK4HTR6JAK1
SCHEMBL4251822 0.79 GRM5 (0.70) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL29559340 0.79 GRM5 (0.70) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL2891208 0.79 GRM1 (0.54) GRM1GRM5PDK4NAMPTJAK1

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
WO-2025066935-A1 COMPOUNDS, COMPOSITIONS AND METHODS THEREOF HEPAITECH (BEIJING) BIOPHARMA TECHNOLOGY CO., LTD. (CN) 2025-04-03 WO disclosed
CN-113735825-B 1,2,3, 6-Tetrahydropyridine compound and preparation method and application thereof 成都康弘药业集团股份有限公司 2024-08-27 CN disclosed