SCHEMBL7402137

SCHEMBL7402137

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1OCCCCCCCCCCO[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CACNA1C Q13936 10/20 0.53
▸ CACNA1F O60840 8/20 0.53
▸ CACNA1D Q01668 8/20 0.53
▸ CACNA1S Q13698 8/20 0.53
▸ ADORA3 P0DMS8 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL7554839 0.97 CACNA1C (0.53) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL7446056 0.95 CYP2C9 (0.54) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL7544621 0.94 CACNA1C (0.54) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL7443841 0.93 CYP2C9 (0.54) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL7540434 0.91 CACNA1C (0.52) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL7396706 0.91 CYP1A2 (0.58) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL7365819 0.91 CYP1A2 (0.58) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL7393785 0.91 CYP1A2 (0.58) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL7445246 0.87 ADORA3 (0.60) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL9248478 0.84 ADORA3 (0.61) CACNA1CCACNA1FCACNA1DCACNA1SADORA3

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
WO-1995013812-A1 USE OF SUBSTITUTED 1,4-DIHYDROPYRIDINE TO REDUCE INTRAOCULAR PRESSURE BYK NEDERLAND BV (NL) 1995-05-26 — — WO claimed
US-5378718-A Cardiovascular activity, hypotensive CEDONA PHARMACEUTICALS B.V. (NL) 1995-01-03 — — US disclosed
Send feedback