SCHEMBL31414535

SCHEMBL31414535

CNC(=O)c1cc2c(C3=CCN(C(=O)OC(C)(C)C)CC3)cccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.54
PDK4 Q16654 1/20 0.54
JAK1 P23458 1/20 0.47
NAMPT P43490 1/20 0.46
SCN9A Q15858 2/20 0.46
HTR6 P50406 1/20 0.46
CDK9 P50750 3/20 0.46
CCNT1 O60563 1/20 0.46
GRM1 Q13255 6/20 0.45
GRM5 P41594 5/20 0.45
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45

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
SCHEMBL31414517 0.89 PDK4 (0.56) CNR1PDK4JAK1NAMPTSCN9A
SCHEMBL14143340 0.79 PDK4 (0.61) CNR1PDK4JAK1NAMPTHTR6
SCHEMBL4096970 0.77 NAMPT (0.57) PDK4JAK1NAMPTSCN9AHTR6
SCHEMBL6847847 0.76 PDK4 (0.69) CNR1PDK4JAK1NAMPTSCN9A
SCHEMBL19284578 0.76 PDK4 (0.65) CNR1PDK4JAK1NAMPTSCN9A
SCHEMBL31414515 0.76 SCN9A (0.45) JAK1NAMPTSCN9A
SCHEMBL29115508 0.75 SCN9A (0.51) PDK4JAK1NAMPTSCN9AHTR6
SCHEMBL19284668 0.75 PDK4 (0.61) CNR1PDK4JAK1NAMPTSCN9A
SCHEMBL19284633 0.75 PDK4 (0.61) CNR1PDK4JAK1NAMPTSCN9A
SCHEMBL25338940 0.75 PDK4 (0.60) CNR1PDK4JAK1NAMPTSCN9A

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-4735422-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF TREATING PHENYLKETONURIA AND OTHER AMINO ACIDURIAS Sanofi (FR) 2026-05-06 EP disclosed
WO-2025006827-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF TREATING PHENYLKETONURIA AND OTHER AMINO ACIDURIAS GENZYME CORPORATION (US) 2025-01-02 WO disclosed