SCHEMBL32689446

SCHEMBL32689446

O=C(NO)C1NCCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
OPRM1 P35372 9/20 0.49
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PRCP P42785 2/20 0.47
MAPT P10636 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL5160890 1.00 TSHR (0.67) TSHRNPSR1HDAC4HDAC7HDAC5
SCHEMBL13646900 0.86 TSHR (0.65) TSHRNPSR1OPRM1SLC6A2SLC6A4
SCHEMBL11104021 0.83 TSHR (0.66) TSHRNPSR1OPRM1SLC6A2SLC6A4
SCHEMBL4022286 0.83 TSHR (0.75) TSHRNPSR1OPRM1SLC6A2SLC6A4
SCHEMBL6204050 0.82 TSHR (0.60) TSHRNPSR1OPRM1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL11481488 0.82 TSHR (0.68) TSHRNPSR1OPRM1SLC6A2SLC6A4
SCHEMBL28134799 0.82 TSHR (0.60) TSHRNPSR1OPRM1SLC6A2SLC6A4
SCHEMBL19960906 0.82 TSHR (0.60) TSHRNPSR1OPRM1SLC6A2SLC6A4
1,2,3,4-Tetrahydroisoquinoline SCHEMBL1027366 0.82 PNMT (0.50) TSHRNPSR1HDAC4HDAC7HDAC5
SCHEMBL514422 0.81 TSHR (0.97) TSHRNPSR1OPRM1SLC6A2SLC6A4

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-121715260-A Tetrahydroisoquinoline hydroxamic acid collecting agent and preparation method thereof 天津天宝翔科技股份有限公司 2026-03-24 CN disclosed