SCHEMBL10378696

SCHEMBL10378696

CC1=C(C(=O)OCCOC2CCCCC2)C(c2ccccc2[N+](=O)[O-])c2c(C3CCCC3)nn(C)c2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
ADORA3 P0DMS8 3/20 0.44
CACNA1D Q01668 6/20 0.43
CACNA1C Q13936 5/20 0.43
CACNA1F O60840 4/20 0.43
CACNA1S Q13698 4/20 0.43
LMNA P02545 3/20 0.43
ABCC4 O15439 2/20 0.43
ABCB11 O95342 2/20 0.43
CYP1A2 P05177 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
OPRM1 P35372 2/20 0.43
SCN1A P35498 2/20 0.43
HTR2B P41595 2/20 0.43
KCNH2 Q12809 2/20 0.43
SCN5A Q14524 2/20 0.43
SCN2A Q99250 2/20 0.43
SCN3A Q9NY46 2/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL10377272 0.99 ACHE (0.46) ACHEADORA3CACNA1DCACNA1CCACNA1F
SCHEMBL7281461 0.93 LMNA (0.47) ACHEADORA3CACNA1DCACNA1CCACNA1F
SCHEMBL10378577 0.92 LMNA (0.48) ACHEADORA3CACNA1DCACNA1CCACNA1F
SCHEMBL7278700 0.91 ACHE (0.55) ACHEADORA3CACNA1DCACNA1CCACNA1F
SCHEMBL10377479 0.90 ACHE (0.45) ACHEADORA3CACNA1DCACNA1CCACNA1F
SCHEMBL10378928 0.90 ADORA3 (0.48) ACHEADORA3CACNA1DCACNA1CCACNA1F
SCHEMBL10378920 0.89 ACHE (0.45) ACHEADORA3CACNA1DCACNA1CCACNA1F
SCHEMBL10377336 0.89 ACHE (0.46) ACHEADORA3CACNA1DCACNA1CCACNA1F
SCHEMBL10378569 0.89 ADORA3 (0.47) ACHEADORA3CACNA1DCACNA1CCACNA1F
SCHEMBL10377613 0.89 ACHE (0.46) ACHEADORA3CACNA1DCACNA1CCACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0157260-B1 4,7-DIHYDROPYRAZOLO(3,4-B)PYRIDINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1990-06-13 EP disclosed
US-4873334-A HYPOTENSIVE AGENTS, CORONARY VASODILATORS SHIONOGI & CO., LTD. (JP) 1989-10-10 US disclosed
EP-0157260-A1 4,7-Dihydropyrazolo(3,4-b)Pyridine derivatives SHIONOGI & CO., LTD. (JP) 1985-10-09 EP disclosed