SCHEMBL31662323

SCHEMBL31662323

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
P2RX3 P56373 5/20 0.34
P2RX2 Q9UBL9 5/20 0.34
ACACB O00763 4/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.32
ACACA Q13085 1/20 0.32
OPRK1 P41145 1/20 0.32
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
KAT2B Q92831 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL31662063 0.89 CA1 (0.33) ADRB2ADRB1P2RX3P2RX2CNR2
SCHEMBL31662586 0.89 ADRB2 (0.36) ADRB2ADRB1P2RX3P2RX2ACACB
SCHEMBL31662261 0.88 MAPT (0.34) ADRB2ADRB1ACACBMAPTHPGD
SCHEMBL31662303 0.83 CHEK1 (0.39) P2RX3MAPTCYP1A2
SCHEMBL31662302 0.83 CHEK1 (0.39) P2RX3MAPTCYP1A2
SCHEMBL31662770 0.77 CD38 (0.36) P2RX3MAPTOPRK1MAPK1CNR2
SCHEMBL31662611 0.77 PDE4B (0.36) MAPTOPRK1MAPK1CNR1CNR2
SCHEMBL31662538 0.77 OPRK1 (0.33) ADRB2ADRB1P2RX3MAPTOPRK1
SCHEMBL31662544 0.77 KAT2B (0.35) ADRB2ADRB1P2RX3ACACBMAPT
SCHEMBL17888595 0.76 MAPT (0.44) MAPTHPGDMAPK1CNR1CNR2

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