SCHEMBL30123628

SCHEMBL30123628

Fc1cc(OCc2ccc3ccccc3n2)ccc1-c1n[nH]cc1-c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 14/20 0.56
LGALS3 P17931 1/20 0.52
PDE4D Q08499 1/20 0.52

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
SCHEMBL3272329 1.00 PDE10A (0.56) PDE10ALGALS3PDE4D
SCHEMBL214481 0.87 PDE10A (0.67) PDE10ALGALS3PDE4D
SCHEMBL30819467 0.87 PDE10A (0.67) PDE10ALGALS3PDE4D
SCHEMBL3270679 0.83 PDE10A (0.49) PDE10ALGALS3PDE4D
SCHEMBL30123139 0.83 PDE10A (0.49) PDE10ALGALS3PDE4D
SCHEMBL3269597 0.83 PDE10A (0.77) PDE10ALGALS3PDE4D
SCHEMBL30122876 0.83 PDE10A (0.77) PDE10ALGALS3PDE4D
SCHEMBL3270008 0.82 NOX1 (0.46)
SCHEMBL4154282 0.82 PDE10A (0.55) PDE10ALGALS3PDE4D
SCHEMBL4147718 0.82 PDE10A (0.54) PDE10ALGALS3PDE4D

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-115484938-A Composition and use thereof 博善人工智能剑桥有限公司 2022-12-16 CN disclosed