SCHEMBL29030998

SCHEMBL29030998

CC1CCN1c1nc(N2CC3CC(CC(=O)O)CC3C2)cc(C(F)(F)F)n1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 20/20 0.75
▸ PDE10A Q9Y233 1/20 0.75

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
SCHEMBL29030991 1.00 KHK (0.75) KHKPDE10A
SCHEMBL30567253 1.00 KHK (0.75) KHKPDE10A
SCHEMBL29030931 0.92 KHK (0.81) KHKPDE10A
SCHEMBL29030924 0.92 KHK (0.81) KHKPDE10A
SCHEMBL30567265 0.92 KHK (0.81) KHKPDE10A
SCHEMBL24239761 0.90 KHK (0.82) KHKPDE10A
SCHEMBL23567035 0.90 KHK (0.82) KHKPDE10A
SCHEMBL30016820 0.90 KHK (0.82) KHKPDE10A
SCHEMBL24239775 0.90 KHK (0.82) KHKPDE10A
SCHEMBL29031027 0.90 KHK (0.77) KHKPDE10A

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
CN-116354932-A Pyrimidine derivative, preparation method and application thereof 海思科医药集团股份有限公司 2023-06-30 — — CN disclosed
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