SCHEMBL30801784

SCHEMBL30801784

O=C1[C@H]2CNCCN2CCN1c1cnc(C2CC(F)(F)C2)s1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL30801749 0.86 MAP4K3 (0.34)
SCHEMBL23573927 0.79 UCHL1 (0.30)
SCHEMBL23573925 0.79 UCHL1 (0.30)
SCHEMBL30801706 0.78
SCHEMBL30801841 0.78
SCHEMBL30801869 0.70 HTR2A (0.41)
SCHEMBL23113756 0.69 CHRNA7 (0.34)
SCHEMBL30801825 0.69 CHRNA7 (0.34)
SCHEMBL30801800 0.69 CHRNA7 (0.34)
SCHEMBL30801857 0.68 CHRNA7 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3793997-B1 FUSED BICYCLIC COMPOUNDS USEFUL AS UBIQUITIN-SPECIFIC PEPTIDASE 30 INHIBITORS FORMA THERAPEUTICS INC (US) 2024-03-13 EP claimed