SCHEMBL29535547

SCHEMBL29535547

CC(C)(C)OC(=O)N1CC=C(c2ccc(N)cc2Cl)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.54
NR1H2 P55055 1/20 0.53
CNR1 P21554 2/20 0.50
HTR6 P50406 1/20 0.48
JAK1 P23458 1/20 0.47
GRM1 Q13255 9/20 0.47
GRM5 P41594 8/20 0.47
NAMPT P43490 1/20 0.46
DGAT2 Q96PD7 1/20 0.46
BTK Q06187 1/20 0.45
SCN9A Q15858 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
SCHEMBL24629831 1.00 PDK4 (0.54) PDK4NR1H2CNR1HTR6JAK1
SCHEMBL29744827 0.87 PDK4 (0.55) PDK4NR1H2CNR1HTR6JAK1
SCHEMBL19097505 0.87 PDK4 (0.55) PDK4CNR1HTR6JAK1GRM1
SCHEMBL1811363 0.87 PDK4 (0.55) PDK4NR1H2CNR1HTR6JAK1
SCHEMBL29744751 0.86 PDK4 (0.54) PDK4NR1H2CNR1HTR6JAK1
SCHEMBL31444034 0.86 PDK4 (0.54) PDK4NR1H2CNR1HTR6JAK1
SCHEMBL31222963 0.86 PDK4 (0.54) PDK4CNR1HTR6JAK1GRM1
SCHEMBL6402391 0.86 PDK4 (0.54) PDK4NR1H2CNR1HTR6JAK1
SCHEMBL2880379 0.86 GRM1 (0.55) PDK4CNR1HTR6JAK1GRM1
SCHEMBL17398182 0.85 PDK4 (0.53) PDK4NR1H2CNR1HTR6JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4333899-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2024-03-13 EP disclosed
EP-4192458-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET C4 Therapeutics, Inc. (US) 2023-06-14 EP disclosed
WO-2022235945-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. (US) 2022-11-10 WO disclosed
WO-2022150574-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2022-07-14 WO disclosed
WO-2022032026-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET C4 THERAPEUTICS, INC. (US) 2022-02-10 WO disclosed