SCHEMBL31661937

SCHEMBL31661937

CN1CCN(C(=O)CCOc2ccc(Oc3cc4c(cnn4C)cc3C(N)=O)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
NTRK1 P04629 2/20 0.36
ROCK2 O75116 2/20 0.35
SCN9A Q15858 2/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
GAA P10253 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
SCHEMBL31662208 0.94 HPGD (0.42) PDE3BPDE3AHPGDMEN1ALDH1A1
SCHEMBL31662130 0.92 PARP1 (0.40) PDE3BPDE3AHPGDCYP2D6SMN1; SMN2
SCHEMBL31662140 0.92 GAA (0.46) PDE3BPDE3AHPGDCYP1A2CYP3A4
SCHEMBL31662211 0.91 NTRK1 (0.40) HPGDCYP2D6SMN1; SMN2NTRK1KCNH2
SCHEMBL31662714 0.90 PDE3B (0.42) PDE3BPDE3AROCK2SCN9AJAK2
SCHEMBL31662441 0.88 SCN9A (0.37) PDE3BPDE3ANTRK1ROCK2SCN9A
SCHEMBL31662026 0.86 SCN7A (0.37) PDE3BPDE3ANTRK1SCN9AL3MBTL1
SCHEMBL31662000 0.83 DRD4 (0.34) NTRK1ROCK2SCN9ADRD4SIGMAR1
SCHEMBL31661959 0.82 GAA (0.52) PDE3BPDE3AHPGDALDH1A1CYP1A2
SCHEMBL31661966 0.81 HPGD (0.39) HPGDMEN1ALDH1A1KMT2ACYP2D6

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