SCHEMBL31585035

SCHEMBL31585035

OC1CC(Oc2ccc(-c3cocn3)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.38
NAAA Q02083 1/20 0.37
SCN9A Q15858 3/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
AR P10275 1/20 0.33
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
CHEK2 O96017 1/20 0.32
HRH3 Q9Y5N1 3/20 0.31
FDPS P14324 3/20 0.31
CHRM1 P11229 2/20 0.31
FURIN P09958 1/20 0.31
DGAT1 O75907 1/20 0.30

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
SCHEMBL31585229 0.77 ENPP3 (0.39) HDAC4NAAASCN9AADRB2ADRB1
SCHEMBL31585545 0.73 NAAA (0.39) NAAASCN9AGPR119
SCHEMBL28159410 0.71 SCN9A (0.51) SCN9A
SCHEMBL1186172 0.68 ESR1 (0.46) HDAC4NAAASCN9AAR
SCHEMBL1646055 0.68 HDAC4 (0.44) HDAC4SCN9A
SCHEMBL26675778 0.68 TDP1 (0.42) FURIN
SCHEMBL26826953 0.68 TDP1 (0.42) FURIN
SCHEMBL26675785 0.68 TDP1 (0.42) FURIN
SCHEMBL26098186 0.67 GRIN1 (0.43) CHRM1FURIN
SCHEMBL31585029 0.67 EPHX2 (0.44) NAAA

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-2025106362-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2025-05-22 WO disclosed