SCHEMBL31661915

SCHEMBL31661915

NC(=O)c1cc(Oc2ccc(OCCCN3CCCC3=O)cc2F)n2cncc2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
POLB P06746 1/20 0.40
PDK2 Q15119 5/20 0.40
EGFR P00533 6/20 0.39
ITK Q08881 4/20 0.39
FFAR1 O14842 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
SCN9A Q15858 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 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
SCHEMBL31661860 0.89 POLB (0.42) CCNCCDK8POLBPDK2EGFR
SCHEMBL31661972 0.88 PRKAB2 (0.39) PDK2
SCHEMBL31661946 0.88 HRH3 (0.32) SCN9A
SCHEMBL31662170 0.87 CYP11B2 (0.38) POLBPDK2SCN9AALDH1A1
SCHEMBL31662644 0.82 PPARG (0.33) POLBFFAR1SCN9A
SCHEMBL31662149 0.77 PRKAB2 (0.44) PDK2ALDH1A1
SCHEMBL31662132 0.77 CPT2 (0.32) FFAR1
SCHEMBL31661965 0.76 SCN9A (0.39) PDK2SCN9A
SCHEMBL31662147 0.75 CYP11B2 (0.39) PDK2SCN9A
SCHEMBL31662489 0.74 MAPT (0.34) POLBFFAR1LMNA

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