SCHEMBL23536458

SCHEMBL23536458

Cn1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)c(N)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.53
GRM1 Q13255 10/20 0.50
GRM5 P41594 9/20 0.50
HTR6 P50406 1/20 0.48
BTK Q06187 1/20 0.47
TNK2 Q07912 2/20 0.47
JAK1 P23458 1/20 0.46
NAMPT P43490 1/20 0.44
SCN9A Q15858 1/20 0.44
GPR119 Q8TDV5 1/20 0.43

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
SCHEMBL23536398 0.83 SHMT2 (0.35) PDK4GRM1GRM5HTR6BTK
SCHEMBL25129377 0.78 BTK (0.51) PDK4GRM1GRM5HTR6BTK
SCHEMBL29910537 0.77 PDK4 (0.51) PDK4GRM1GRM5HTR6BTK
SCHEMBL18081229 0.77 PDK4 (0.51) PDK4GRM1GRM5HTR6BTK
SCHEMBL23411394 0.77 GRM1 (0.53) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL83700 0.77 PDK4 (0.68) PDK4GRM1GRM5HTR6BTK
SCHEMBL30061046 0.77 PDK4 (0.68) PDK4GRM1GRM5HTR6BTK
SCHEMBL31053191 0.77 GRM1 (0.58) PDK4GRM1GRM5HTR6TNK2
SCHEMBL22820579 0.76 BTK (0.51) PDK4GRM1GRM5HTR6BTK
SCHEMBL30269890 0.76 BTK (0.60) PDK4GRM1GRM5HTR6BTK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed