SCHEMBL10664508

SCHEMBL10664508

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCNC(=O)c2ccc(O)cc2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1F O60840 10/20 0.73
▸ CACNA1D Q01668 10/20 0.73
▸ CACNA1S Q13698 10/20 0.73
▸ CACNA1C Q13936 10/20 0.73
▸ ADORA3 P0DMS8 1/20 0.71
▸ MEN1 O00255 5/20 0.69
▸ KMT2A Q03164 5/20 0.69
▸ CYP1A2 P05177 4/20 0.69
▸ CYP3A4 P08684 4/20 0.69
▸ CYP2C9 P11712 4/20 0.69
▸ CYP2C19 P33261 4/20 0.69
▸ MAPT P10636 4/20 0.69
▸ HIF1A Q16665 3/20 0.69
▸ LMNA P02545 3/20 0.69
▸ CYP2D6 P10635 2/20 0.69
▸ TSHR P16473 2/20 0.69
▸ NFKB1 P19838 2/20 0.69
▸ THPO P40225 2/20 0.69
▸ POLB P06746 1/20 0.69
▸ MAPK1 P28482 1/20 0.69

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
SCHEMBL10666185 0.95 MEN1 (0.69) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10666388 0.87 CACNA1F (0.68) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9808591 0.86 CACNA1F (0.76) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10663707 0.85 CACNA1F (0.84) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7483825 0.84 CACNA1F (0.76) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11826754 0.84 CACNA1C (0.94) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10661365 0.84 CACNA1F (0.67) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL2574894 0.84 CACNA1F (1.00) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9387549 0.84 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
Hydrochloric Acid SCHEMBL7755544 0.84 CACNA1F (0.74) CACNA1FCACNA1DCACNA1SCACNA1CADORA3

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
US-4727066-A CARDIOVASCULAR DISORDERS CERMOL S.A. (CH) 1988-02-23 — — US claimed
US-4727066-A CARDIOVASCULAR DISORDERS CERMOL S.A. (CH) 1988-02-23 — — US disclosed
US-4656181-A CARDIOTONIC AGENTS CERMOL S.A. (CH) 1987-04-07 — — US disclosed
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