SCHEMBL9483786

SCHEMBL9483786

O=C(OCc1ccccc1)N1CCCN(C(=O)C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)NS(=O)(=O)c2cccc3cnccc23)CC1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.76
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
CAMK2D Q13557 1/20 0.56
P2RX4 Q99571 1/20 0.56
CAMK2A Q9UQM7 1/20 0.56

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
SCHEMBL9483789 1.00 P2RX7 (0.76) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483654 0.92 P2RX7 (0.63) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483660 0.92 P2RX7 (0.63) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483219 0.90 P2RX7 (0.65) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483215 0.90 P2RX7 (0.65) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9636226 0.88 P2RX7 (0.59) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9484591 0.87 P2RX7 (0.87) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9484593 0.87 P2RX7 (0.87) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483491 0.86 P2RX7 (0.62) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483834 0.86 P2RX7 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5245034-A Compound having vessel smooth muscle relaxation activity Hidaka, Kiroyoshi (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