SCHEMBL31443584

SCHEMBL31443584

CC(C)(C)OC(=O)N1CC=C(c2ccc(Br)cc2O)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.56
HTR6 P50406 1/20 0.52
JAK1 P23458 1/20 0.48
GRM1 Q13255 11/20 0.48
GRM5 P41594 10/20 0.48
NAMPT P43490 1/20 0.47
SCN9A Q15858 1/20 0.47
CNR1 P21554 1/20 0.47
ESR2 Q92731 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 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
SCHEMBL31192678 0.92 PDK4 (0.55) PDK4HTR6JAK1GRM1GRM5
SCHEMBL15545634 0.88 PDK4 (0.54) PDK4HTR6JAK1GRM1GRM5
SCHEMBL30112465 0.88 PDK4 (0.54) PDK4HTR6JAK1GRM1GRM5
SCHEMBL1199843 0.88 PDK4 (0.54) PDK4HTR6JAK1GRM1GRM5
SCHEMBL31222963 0.88 PDK4 (0.54) PDK4HTR6JAK1GRM1GRM5
SCHEMBL31443630 0.88 PDK4 (0.54) PDK4HTR6JAK1GRM1GRM5
SCHEMBL12713080 0.88 PDK4 (0.58) PDK4HTR6JAK1GRM1GRM5
SCHEMBL31223106 0.87 PDK4 (0.53) PDK4HTR6JAK1GRM1GRM5
SCHEMBL31223062 0.87 PDK4 (0.53) PDK4HTR6JAK1GRM1GRM5
SCHEMBL6629675 0.86 PDK4 (0.53) PDK4HTR6JAK1GRM1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025096856-A1 COVALENT CEREBLON LIGANDS C4 THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed