SCHEMBL31661907

SCHEMBL31661907

NC(=O)c1cc(Oc2ccc(OCCOC3CCOC3)cc2)n2cncc2c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 4/20 0.34
ATF4 P18848 1/20 0.34
ACACB O00763 2/20 0.34
CPT2 P23786 3/20 0.33
TBXAS1 P24557 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
PARP10 Q53GL7 3/20 0.32
FPR2 P25090 2/20 0.32
SCN9A Q15858 2/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PDE4D Q08499 1/20 0.32
MAP4K4 O95819 1/20 0.31
PARP15 Q460N3 2/20 0.31
PARP2 Q9UGN5 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
CHEK2 O96017 2/20 0.30

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
SCHEMBL31661914 1.00 CPT1A (0.34) CPT1AATF4ACACBCPT2TBXAS1
SCHEMBL31662141 1.00 CPT1A (0.34) CPT1AATF4ACACBCPT2TBXAS1
SCHEMBL31662082 0.95 TBXAS1 (0.34) CPT1ACPT2TBXAS1HRH3PARP10
SCHEMBL31662398 0.86 BMPR1B (0.34) CPT1AACACBCPT2CYP11B2
SCHEMBL31662132 0.85 CPT2 (0.32) CPT1ACPT2PARP10CYP11B2MAP4K4
SCHEMBL31662277 0.84 MAPT (0.38)
SCHEMBL31662136 0.80 HRH3 (0.42) CPT1AHRH3
SCHEMBL31662459 0.80 TBXAS1 (0.40) TBXAS1HRH3PARP10PARP15OPRM1
SCHEMBL31662207 0.78 SMN1; SMN2 (0.34) HRH3PARP10PARP15PARP2OPRM1
SCHEMBL31662424 0.75 PARP10 (0.48) PARP10MAP4K4PARP15PARP2

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
WO-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO claimed
WO-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed