SCHEMBL23994597

SCHEMBL23994597

CC[C@H]1C[C@@H]1c1ccc2ccn(CC(F)(F)F)c2n1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 7/20 0.39

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
SCHEMBL25004875 0.83 PDE10A (0.32) PDE10A
SCHEMBL23995229 0.81 PDE10A (0.32) PDE10A
SCHEMBL25004868 0.79 PDE10A (0.33) PDE10A
SCHEMBL23994612 0.78 PDE10A (0.34) PDE10A
SCHEMBL23995228 0.77 PDE10A (0.44) PDE10A
SCHEMBL23993465 0.69 — —
SCHEMBL30181632 0.69 — —
SCHEMBL30181631 0.69 — —
SCHEMBL25005312 0.69 — —
SCHEMBL23993485 0.68 MTNR1A (0.31) —

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
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 — — WO disclosed
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