SCHEMBL31661916

SCHEMBL31661916

NC(=O)c1cc(Oc2ccc(OCCOC3CCOCC3)cc2)c2cncn2c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 3/20 0.34
SELE P16581 3/20 0.34
TBXAS1 P24557 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
PARP10 Q53GL7 2/20 0.32
JAK3 P52333 5/20 0.32
CYP11B2 P19099 1/20 0.32
MAP4K4 O95819 1/20 0.31
PARP15 Q460N3 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
PDE4D Q08499 1/20 0.31
OPRK1 P41145 4/20 0.31
OPRM1 P35372 3/20 0.31
OPRD1 P41143 2/20 0.31
BMPR1B O00238 1/20 0.31
BMPR1A P36894 1/20 0.31
TGFBR1 P36897 1/20 0.31
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31

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
SCHEMBL31662205 0.82 CYP11B2 (0.34) ICAM1SELECYP11B2BMPR1BBMPR1A
SCHEMBL31661992 0.78 PDE4D (0.34) PDE4D
SCHEMBL31662082 0.78 TBXAS1 (0.34) ICAM1SELETBXAS1HRH3PARP10
SCHEMBL31661983 0.78 CNR2 (0.32) HRH3JAK3OPRK1OPRM1OPRD1
SCHEMBL31662171 0.78 TTK (0.36) JAK3
SCHEMBL31662332 0.78 MIF (0.34) CYP11B2
SCHEMBL31662072 0.77 SCN9A (0.39) HRH3PDE4D
SCHEMBL31662059 0.76 PDE4D (0.35) PARP10CYP11B2PDE4D
SCHEMBL17888615 0.76 PDE4D (0.38) HRH3PARP10PARP15PARP2PDE4D
SCHEMBL17888598 0.76 PARP10 (0.38) HRH3PARP10PARP15PARP2PDE4D

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