SCHEMBL31661980

SCHEMBL31661980

CCn1cnnc1-c1cc(Oc2ccc(N3CCN(C)C3=O)cc2)c2cncn2c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
HRH3 Q9Y5N1 1/20 0.32
JAK3 P52333 8/20 0.32
MCHR2 Q969V1 1/20 0.31
MCHR1 Q99705 1/20 0.31
JAK2 O60674 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
SCHEMBL31662179 0.89 CSF1R (0.34) SCN9A
SCHEMBL31662004 0.87 JAK3 (0.33) JAK3JAK2
SCHEMBL31661973 0.86 TSHR (0.37) SCN9AHRH3JAK3
SCHEMBL31661899 0.80 HRH3 (0.33) SCN9AHRH3MCHR2MCHR1
SCHEMBL31662146 0.80 MCHR2 (0.35) SCN9AHRH3MCHR2MCHR1
SCHEMBL31662145 0.78 RAB9A (0.39) HRH3
SCHEMBL31662191 0.77 HRH3 (0.44) HRH3
SCHEMBL31662137 0.76 HRH2 (0.42) HRH3
SCHEMBL31662273 0.72 MCHR2 (0.34) MCHR2MCHR1
SCHEMBL31662299 0.70 JAK3 (0.40) JAK3JAK2

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