SCHEMBL31661994

SCHEMBL31661994

CCn1cnnc1-c1cc(Oc2ccc(-n3ccn(CC4COC4)c3=O)cc2)c2c(cnn2C)c1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR2 Q969V1 1/20 0.31
MCHR1 Q99705 1/20 0.31
NTRK1 P04629 1/20 0.30
NTRK3 Q16288 1/20 0.30
NTRK2 Q16620 1/20 0.30
TTK P33981 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
SCHEMBL31662154 0.86 TUBB4A (0.34) MCHR2MCHR1TTK
SCHEMBL31662164 0.85 SCN9A (0.32) MCHR2MCHR1
SCHEMBL31661901 0.83 MCHR2 (0.32) MCHR2MCHR1TTK
SCHEMBL31661843 0.78 GRM2 (0.32) MCHR2MCHR1
SCHEMBL31662146 0.77 MCHR2 (0.35) MCHR2MCHR1TTK
SCHEMBL31662273 0.77 MCHR2 (0.34) MCHR2MCHR1
SCHEMBL31662111 0.76 MCHR2 (0.33) MCHR2MCHR1
SCHEMBL31661948 0.76 LIPE (0.37)
SCHEMBL31661962 0.76 TTK (0.35) TTK
SCHEMBL31662158 0.72 NPBWR1 (0.34) MCHR1TTK

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