SCHEMBL30123147

SCHEMBL30123147

c1ccc2nc(COc3ccc(-n4cncc4-c4ccncc4)cc3)ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 12/20 0.64
▸ CYP1A2 P05177 3/20 0.60
▸ CYSLTR2 Q9NS75 1/20 0.55
▸ CYSLTR1 Q9Y271 1/20 0.55
▸ LGALS3 P17931 1/20 0.54
▸ PDE4D Q08499 1/20 0.54

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
SCHEMBL3270025 1.00 PDE10A (0.64) PDE10ACYP1A2CYSLTR2CYSLTR1LGALS3
SCHEMBL3271852 0.81 PDE10A (0.62) PDE10ACYP1A2CYSLTR2CYSLTR1LGALS3
SCHEMBL30123158 0.81 PDE10A (0.62) PDE10ACYP1A2CYSLTR2CYSLTR1LGALS3
SCHEMBL30122850 0.81 PDE10A (0.71) PDE10ACYP1A2CYSLTR2CYSLTR1LGALS3
SCHEMBL3270070 0.81 PDE10A (0.71) PDE10ACYP1A2CYSLTR2CYSLTR1LGALS3
SCHEMBL3269684 0.81 PDE10A (0.67) PDE10ACYP1A2CYSLTR2CYSLTR1LGALS3
SCHEMBL30123685 0.81 PDE10A (0.67) PDE10ACYP1A2CYSLTR2CYSLTR1LGALS3
SCHEMBL3270047 0.80 F2 (0.47) CYP1A2
SCHEMBL3271388 0.79 PDE10A (0.62) PDE10ACYP1A2CYSLTR2CYSLTR1LGALS3
SCHEMBL4763336 0.79 RAB9A (0.57) CYP1A2

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
Send feedback