SCHEMBL31661962

SCHEMBL31661962

CCn1cnnc1-c1cc(Oc2ccc(OCCOC3CCOCC3)cc2)c2c(cnn2C)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTK P33981 4/20 0.35
LRRK2 Q5S007 1/20 0.32
CD38 P28907 1/20 0.32
HTR6 P50406 1/20 0.31
CSF1R P07333 1/20 0.30
PDGFRB P09619 1/20 0.30
PDGFRA P16234 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
SCHEMBL31661923 0.91 TTK (0.38) TTKLRRK2CD38HTR6
SCHEMBL31661954 0.89 TTK (0.32) TTKLRRK2CD38HTR6CSF1R
SCHEMBL31662202 0.83 GSK3B (0.36) TTKLRRK2CD38HTR6
SCHEMBL31661988 0.82 LRRK2 (0.36) LRRK2CD38HTR6CSF1RPDGFRB
SCHEMBL31661978 0.82 TTK (0.35) TTKLRRK2CD38
SCHEMBL31661927 0.82 HRH3 (0.33) TTK
SCHEMBL31662230 0.80 CD38 (0.34) LRRK2CD38HTR6
SCHEMBL31662457 0.80 CD38 (0.34) LRRK2CD38HTR6
SCHEMBL31661926 0.79 TTK (0.32) TTK
SCHEMBL31662578 0.77 CD38 (0.37) CD38

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