SCHEMBL30120331

SCHEMBL30120331

CC(C)(C)OC(=O)N1CCC=C(c2ccc(N)cc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.52
PDK4 Q16654 1/20 0.43
GRM5 P41594 6/20 0.41
GRM1 Q13255 6/20 0.41
ESR2 Q92731 1/20 0.40
GPR119 Q8TDV5 4/20 0.40
DPP4 P27487 1/20 0.39
HTR6 P50406 1/20 0.39
JAK1 P23458 1/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
CDK9 P50750 1/20 0.38
CNR1 P21554 1/20 0.37
PDK2 Q15119 1/20 0.37

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
SCHEMBL29744751 0.90 PDK4 (0.54) NR1H2PDK4GRM5GRM1HTR6
SCHEMBL6402391 0.90 PDK4 (0.54) NR1H2PDK4GRM5GRM1HTR6
Bicarbonate SCHEMBL29947017 0.86 PDK4 (0.51) NR1H2PDK4GRM5GRM1HTR6
SCHEMBL30822385 0.81 PDK4 (0.54) NR1H2PDK4GRM5GRM1HTR6
SCHEMBL27208421 0.81 PDK4 (0.54) NR1H2PDK4GRM5GRM1HTR6
SCHEMBL20046146 0.80 GPR119 (0.43) NR1H2PDK4GPR119DPP4
SCHEMBL13993111 0.78 GRM1 (0.57) PDK4GRM5GRM1HTR6JAK1
SCHEMBL22957463 0.78 PDK4 (0.51) NR1H2PDK4GRM5GRM1HTR6
SCHEMBL1240331 0.77 GRM5 (0.53) PDK4GRM5GRM1ESR2
SCHEMBL24310174 0.77 PDK4 (0.55) PDK4GRM5GRM1ESR2HTR6

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-4351583-A1 THERAPEUTICS FOR THE DEGRADATION OF MUTANT BRAF C4 Therapeutics, Inc. (US) 2024-04-17 EP disclosed
WO-2022261250-A1 THERAPEUTICS FOR THE DEGRADATION OF MUTANT BRAF C4 THERAPEUTICS, INC. (US) 2022-12-15 WO disclosed