SCHEMBL30806877

SCHEMBL30806877

c1cnc2c(c1)CNCCN2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.42
PNMT P11086 1/20 0.42
MAOB P27338 1/20 0.42
ASIC3 Q9UHC3 1/20 0.41
RYR2 Q92736 1/20 0.36
HTR2C P28335 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL6618255 1.00 CD44 (0.42) CD44PNMTMAOBASIC3RYR2
SCHEMBL2845218 0.89 CD44 (0.39) CD44PNMTMAOBASIC3RYR2
SCHEMBL2161648 0.82 PNMT (0.34) CD44PNMTMAOBASIC3HTR2C
SCHEMBL2400223 0.81
SCHEMBL288016 0.77
SCHEMBL29376210 0.77
SCHEMBL2843730 0.74 CRBN (0.38) ASIC3HTR2CSMN1; SMN2HTR2AHTR2B
SCHEMBL38950 0.73 NNMT (0.44) HTR2CHTR2AHTR2BADRA2AADRA2B
SCHEMBL29416448 0.73 NNMT (0.44) HTR2CHTR2AHTR2BADRA2AADRA2B
SCHEMBL12822 0.72 PNMT (0.52) CD44PNMTMAOBASIC3HTR2C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119948036-A Compounds for the treatment of huntington's disease 渤健马萨诸塞州股份有限公司 2025-05-06 CN claimed
EP-4562018-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE Biogen MA Inc. (US) 2025-06-04 EP disclosed
CN-119948036-A Compounds for the treatment of huntington's disease 渤健马萨诸塞州股份有限公司 2025-05-06 CN disclosed
WO-2024026061-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE BIOGEN MA INC. (US) 2024-02-01 WO disclosed