SCHEMBL7483825

SCHEMBL7483825

CC(=O)NCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCNC(C)=O)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1F O60840 8/20 0.76
▸ CACNA1D Q01668 8/20 0.76
▸ CACNA1S Q13698 8/20 0.76
▸ CACNA1C Q13936 8/20 0.76
▸ ADORA3 P0DMS8 1/20 0.73
▸ MEN1 O00255 4/20 0.71
▸ KMT2A Q03164 4/20 0.71
▸ HIF1A Q16665 3/20 0.71
▸ MAPT P10636 3/20 0.71
▸ CYP1A2 P05177 3/20 0.71
▸ CYP3A4 P08684 3/20 0.71
▸ CYP2C9 P11712 3/20 0.71
▸ CYP2C19 P33261 3/20 0.71
▸ CYP2D6 P10635 2/20 0.71
▸ TSHR P16473 2/20 0.71
▸ NFKB1 P19838 2/20 0.71
▸ THPO P40225 2/20 0.71
▸ LMNA P02545 1/20 0.71
▸ POLB P06746 1/20 0.71
▸ MAPK1 P28482 1/20 0.71

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
Hydrochloric Acid SCHEMBL7755544 0.99 CACNA1F (0.74) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL8295672 0.96 CACNA1F (0.70) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7482398 0.96 CACNA1F (0.70) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL8297263 0.96 CACNA1F (0.70) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
Hydrochloric Acid SCHEMBL10771661 0.89 CACNA1F (0.77) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7564216 0.88 NR3C2 (0.69) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10663707 0.87 CACNA1F (0.84) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11036485 0.87 HIF1A (0.79) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10747970 0.86 CACNA1F (0.83) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL6725228 0.86 CACNA1F (0.87) 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 6 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
EP-0657429-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 1,4-DIHYDROPYRIDINE COMPOUNDS MERCIAN CORP (JP) 2001-04-11 — — 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
US-5635395-A Optically active 1,4-dihydropyridine compounds and the microbial process for the stereoselection thereof MERCIAN CORPORATION (JP) 1997-06-03 — — US disclosed
EP-0657429-A1 OPTICALLY ACTIVE 1,4-DIHYDROPYRIDINE COMPOUND AND PROCESS FOR PRODUCING THE SAME MERCIAN CORPORATION (JP) 1995-06-14 — — EP disclosed
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