SCHEMBL7475702

SCHEMBL7475702

CC1=C(C(=O)O)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCCN)=C(C)N1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 8/20 0.77
CACNA1D Q01668 8/20 0.77
CACNA1S Q13698 8/20 0.77
CACNA1C Q13936 8/20 0.77
ADORA3 P0DMS8 1/20 0.74
CACNA1B Q00975 1/20 0.71
PDE1C Q14123 1/20 0.71
MEN1 O00255 4/20 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
KMT2A Q03164 4/20 0.69
HIF1A Q16665 3/20 0.69
MAPT P10636 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

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
SCHEMBL7471250 0.96 CACNA1F (0.83) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
Hydrochloric Acid SCHEMBL7475992 0.95 CACNA1F (0.82) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7280038 0.93 CACNA1F (0.90) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10747986 0.92 CACNA1F (0.77) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL3065413 0.92 MEN1 (0.81) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10748003 0.92 CACNA1F (0.77) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL6725241 0.92 CACNA1F (0.80) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL3065410 0.92 MEN1 (0.81) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL6725206 0.92 CACNA1F (0.80) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7300924 0.92 HIF1A (0.82) 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
EP-0779277-B1 1,4-DIHYDROPYRIDINE DERIVATIVE MERCIAN CORP (JP) 2002-07-10 EP disclosed
US-5760238-A ANTIISCHEMIC AGENTS MERCIAN CORPORATION (JP) 1998-06-02 US disclosed
EP-0779277-A1 1,4-DIHYDROPYRIDINE DERIVATIVE MERCIAN CORPORATION (JP) 1997-06-18 EP disclosed