SCHEMBL9023068

SCHEMBL9023068

COc1ccc(CC(CN2CCN(C(=O)OCc3ccccc3)CC2)NS(=O)(=O)c2cccc3cnccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 17/20 0.53
▸ ALDH1A1 P00352 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ CAMK2D Q13557 1/20 0.45
▸ P2RX4 Q99571 1/20 0.45
▸ CAMK2A Q9UQM7 1/20 0.45
▸ F2 P00734 2/20 0.44

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
SCHEMBL9484726 0.93 P2RX7 (0.52) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483491 0.92 P2RX7 (0.62) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483261 0.90 P2RX7 (0.54) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9636226 0.90 P2RX7 (0.59) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2456611 0.85 P2RX7 (0.65) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9484196 0.84 P2RX7 (0.55) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483259 0.83 P2RX7 (0.54) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9484499 0.82 P2RX7 (0.53) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483410 0.82 P2RX7 (0.79) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483836 0.81 P2RX7 (0.59) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513691-B1 Anti-ulcer agent HIDAKA HIROYOSHI (JP) 1996-07-31 — — EP disclosed
US-5245034-A Compound having vessel smooth muscle relaxation activity Hidaka, Kiroyoshi (JP) 1993-09-14 — — US disclosed
US-5244895-A 5-Isoquinolinesulfonamides with N substituents containing benzyl and heterocyclic groups Hidaka, Hiroyoshi (JP) 1993-09-14 — — US disclosed
US-5216150-A Muscle relaxant; enzyme inhibitor and platelet aggutination inhibitor Hidaka, Hiroyoshi (JP) 1993-06-01 — — US disclosed
EP-0513691-A1 Anti-ulcer agent Hidaka, Hiroyoshi (JP) 1992-11-19 — — EP disclosed
US-5081246-A Isoquinolino sulfonamino derivatives Hidaka, Hiroyoshi (JP) 1992-01-14 — — US disclosed
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