SCHEMBL31662261

SCHEMBL31662261

COC(=O)c1cc(CN)ncc1Oc1ccc(OCCOC2CCOCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
OPRK1 P41145 1/20 0.33
KAT2B Q92831 2/20 0.33
LNPEP Q9UIQ6 1/20 0.33
AOC2 O75106 1/20 0.33
RAB9A P51151 2/20 0.32
RORC P51449 1/20 0.32
ESR2 Q92731 1/20 0.32
HPGDS O60760 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.32
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
BAZ2B Q9UIF8 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL31662323 0.88 ADRB2 (0.35) MAPTADRB2ADRB1OPRK1KAT2B
SCHEMBL31662586 0.88 ADRB2 (0.36) MAPTADRB2ADRB1OPRK1KAT2B
SCHEMBL31662302 0.85 CHEK1 (0.39) MAPTRORC
SCHEMBL31662303 0.85 CHEK1 (0.39) MAPTRORC
SCHEMBL31662063 0.85 CA1 (0.33) ADRB2ADRB1
SCHEMBL31662770 0.79 CD38 (0.36) MAPTOPRK1RORC
SCHEMBL31662538 0.79 OPRK1 (0.33) MAPTADRB2ADRB1OPRK1KAT2B
SCHEMBL31662544 0.79 KAT2B (0.35) MAPTADRB2ADRB1OPRK1KAT2B
SCHEMBL31662611 0.77 PDE4B (0.36) MAPTOPRK1RORC
SCHEMBL17888595 0.76 MAPT (0.44) MAPTRAB9AHPGDNPC1TDP1

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