SCHEMBL31661965

SCHEMBL31661965

NC(=O)c1cc(Oc2ccc(OCCCN3CCNC3=O)cc2)n2cncc2c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.39
TBXAS1 P24557 2/20 0.37
HPGDS O60760 1/20 0.37
HRH3 Q9Y5N1 8/20 0.36
CHEK2 O96017 1/20 0.35
PDK2 Q15119 1/20 0.35
OPRM1 P35372 1/20 0.34
IKBKB O14920 1/20 0.34

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
SCHEMBL31662147 0.89 CYP11B2 (0.39) SCN9ATBXAS1HRH3CHEK2PDK2
SCHEMBL31661860 0.86 POLB (0.42) SCN9AHRH3PDK2OPRM1
SCHEMBL31662149 0.85 PRKAB2 (0.44) TBXAS1HRH3PDK2OPRM1IKBKB
SCHEMBL31662459 0.82 TBXAS1 (0.40) TBXAS1HRH3CHEK2OPRM1
SCHEMBL31662250 0.80 HRH3 (0.46) HRH3
SCHEMBL31661905 0.80 TBXAS1 (0.32) TBXAS1HRH3CHEK2IKBKB
SCHEMBL31662136 0.79 HRH3 (0.42) HRH3
SCHEMBL31662117 0.79 GRM2 (0.35) TBXAS1HRH3OPRM1
SCHEMBL31662170 0.79 CYP11B2 (0.38) SCN9AHRH3PDK2OPRM1
SCHEMBL31662424 0.75 PARP10 (0.48)

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