SCHEMBL31661899

SCHEMBL31661899

CCn1cnnc1-c1cc(Oc2ccc(N3CCN(C)C3=O)cc2)n2cncc2c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.33
SCN9A Q15858 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
MCHR2 Q969V1 1/20 0.31
MCHR1 Q99705 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
SCHEMBL31661961 0.81 PRKAB2 (0.38) HRH3
SCHEMBL31662621 0.81 GPR119 (0.33) GPR119
SCHEMBL31661980 0.80 SCN9A (0.34) HRH3SCN9AMCHR2MCHR1
SCHEMBL31662146 0.78 MCHR2 (0.35) HRH3SCN9AGPR119MCHR2MCHR1
SCHEMBL31661982 0.78 GPR119 (0.34) GPR119
SCHEMBL31662204 0.77 CYP2D6 (0.36) GPR119
SCHEMBL31662074 0.77 CYP2D6 (0.36) GPR119
SCHEMBL31661943 0.75 L3MBTL1 (0.35) GPR119
SCHEMBL31661987 0.75 CYP3A4 (0.33) GPR119
SCHEMBL31662494 0.74 CA12 (0.36) GPR119

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 2 patents. 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 claimed
WO-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed