SCHEMBL28336179

SCHEMBL28336179

NC(=O)OC1CCn2cc(-c3cccc(F)c3)nc2C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.47
▸ WDR5 P61964 6/20 0.39
▸ RPS6KB1 P23443 1/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ HPGDS O60760 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GRM5 P41594 4/20 0.37
▸ F2RL3 Q96RI0 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ KMO O15229 1/20 0.36

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
SCHEMBL16003607 0.79 PDE10A (0.49) PDE10AWDR5RPS6KB1AKT1KMT2A
Hydrochloric Acid SCHEMBL16341367 0.78 PDE10A (0.48) PDE10AWDR5RPS6KB1AKT1KMT2A
SCHEMBL16320654 0.77 PDE10A (0.63) PDE10AWDR5HPGDS
SCHEMBL16003606 0.75 PDE10A (0.58) PDE10AHPGDS
SCHEMBL16320993 0.73 PDE10A (0.47) PDE10AWDR5HPGDSKMO
SCHEMBL28338234 0.73 ATM (0.30) —
SCHEMBL28335954 0.70 HPGD (0.36) KMT2A
SCHEMBL15933432 0.69 PDCD1 (0.57) PDE10AWDR5KMT2A
SCHEMBL18329399 0.68 PDCD1 (0.49) PDE10AWDR5
SCHEMBL28879588 0.68 PDE10A (0.42) PDE10AKMT2AGRM5

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-106957317-B Novel pyrazole derivatives 持田制药株式会社 2019-12-31 — — CN disclosed
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