SCHEMBL31662544

SCHEMBL31662544

COC(=O)c1cc2cnc(C)n2cc1Oc1ccc(OCCOC2CCOCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.35
GSK3B P49841 2/20 0.34
CD38 P28907 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
LMNA P02545 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRK1 P41145 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
P2RX3 P56373 1/20 0.33
MAPT P10636 3/20 0.33
ACACB O00763 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL31662331 0.91 DHODH (0.36) KAT2BGSK3BCD38BAZ2B
SCHEMBL31661952 0.90 RET (0.34) KAT2BGSK3BCD38BAZ2BP2RX3
SCHEMBL31662538 0.86 OPRK1 (0.33) KAT2BCD38MRGPRX4OPRK1ADRB2
SCHEMBL31662261 0.79 MAPT (0.34) KAT2BBAZ2BTDP1L3MBTL1OPRK1
SCHEMBL31662303 0.79 CHEK1 (0.39) P2RX3MAPT
SCHEMBL31662302 0.79 CHEK1 (0.39) P2RX3MAPT
SCHEMBL31662770 0.78 CD38 (0.36) CD38OPRK1P2RX3MAPT
SCHEMBL31662323 0.77 ADRB2 (0.35) KAT2BOPRK1ADRB2ADRB1P2RX3
SCHEMBL31662611 0.76 PDE4B (0.36) OPRK1MAPTMEN1KMT2A
SCHEMBL31662332 0.76 MIF (0.34) KAT2BKDM4EMEN1KMT2A

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 1 patent. 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 disclosed