SCHEMBL30132015

SCHEMBL30132015

COCOc1cc(-c2ncsn2)ccc1-c1cnc(N2CCN[C@@H](C3CC3)C2)nn1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.51

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
SCHEMBL25313346 1.00 HTT (0.51) HTT
SCHEMBL25316418 0.86 HTT (0.68) HTT
SCHEMBL30131762 0.86 HTT (0.68) HTT
Trifluoroacetic Acid SCHEMBL30131970 0.80 HTT (0.62) HTT
SCHEMBL30132029 0.76 HTT (0.70) HTT
SCHEMBL25316218 0.76 HTT (0.70) HTT
SCHEMBL25315442 0.76 HTT (0.65) HTT
SCHEMBL30131895 0.76 HTT (0.65) HTT
SCHEMBL25314457 0.73 HTT (0.49) HTT
SCHEMBL25316505 0.73 HTT (0.62) HTT

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
CN-115768762-A Compounds for the treatment of huntington's disease PTC医疗公司 2023-03-07 CN disclosed
EP-4132923-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2023-02-15 EP disclosed