SCHEMBL31662586

SCHEMBL31662586

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.36
ADRB1 P08588 7/20 0.36
OPRK1 P41145 1/20 0.33
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
ACACB O00763 1/20 0.31
KAT2B Q92831 1/20 0.31
RORC P51449 1/20 0.31
P2RX3 P56373 2/20 0.31
P2RX2 Q9UBL9 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ADRB3 P13945 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 0.89 ADRB2 (0.35) ADRB2ADRB1OPRK1MAPTHPGD
SCHEMBL31662261 0.88 MAPT (0.34) ADRB2ADRB1OPRK1MAPTHPGD
SCHEMBL31662063 0.85 CA1 (0.33) ADRB2ADRB1P2RX3P2RX2
SCHEMBL31662303 0.82 CHEK1 (0.39) MAPTRORCP2RX3
SCHEMBL31662302 0.82 CHEK1 (0.39) MAPTRORCP2RX3
SCHEMBL31662770 0.77 CD38 (0.36) OPRK1MAPTMAPK1RORCP2RX3
SCHEMBL31662544 0.76 KAT2B (0.35) ADRB2ADRB1OPRK1MAPTACACB
SCHEMBL31662538 0.76 OPRK1 (0.33) ADRB2ADRB1OPRK1MAPTKAT2B
SCHEMBL31662611 0.75 PDE4B (0.36) OPRK1MAPTMAPK1RORC
SCHEMBL17888595 0.73 MAPT (0.44) MAPTHPGDMAPK1NPC1RAB9A

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