SCHEMBL8297263

SCHEMBL8297263

CC(=O)NCCOC(=O)C1=C(C)NC(C)=C(C(=O)O)[C@@H]1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1F O60840 7/20 0.70
▸ CACNA1D Q01668 7/20 0.70
▸ CACNA1S Q13698 7/20 0.70
▸ CACNA1C Q13936 7/20 0.70
▸ ADORA3 P0DMS8 1/20 0.68
▸ MEN1 O00255 3/20 0.68
▸ MAPT P10636 3/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ TDP1 Q9NUW8 1/20 0.68
▸ HIF1A Q16665 3/20 0.66
▸ CYP1A2 P05177 2/20 0.66
▸ CYP3A4 P08684 2/20 0.66
▸ CYP2C9 P11712 2/20 0.66
▸ CYP2C19 P33261 2/20 0.66
▸ LMNA P02545 1/20 0.66
▸ POLB P06746 1/20 0.66
▸ MAPK1 P28482 1/20 0.66
▸ GPR55 Q9Y2T6 1/20 0.66
▸ CYP2D6 P10635 1/20 0.66
▸ TSHR P16473 1/20 0.66

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
SCHEMBL8295672 1.00 CACNA1F (0.70) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7482398 1.00 CACNA1F (0.70) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7483825 0.96 CACNA1F (0.76) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
Hydrochloric Acid SCHEMBL7755544 0.95 CACNA1F (0.74) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
Hydrochloric Acid SCHEMBL10771654 0.90 CACNA1F (0.71) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7480490 0.88 MEN1 (0.65) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL3065410 0.87 MEN1 (0.81) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10747986 0.87 CACNA1F (0.77) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7475702 0.87 CACNA1F (0.77) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL6725206 0.87 CACNA1F (0.80) 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-0636611-B1 Optically active 1,4-dihydropyridine derivatives and process for preparing the same MERCIAN CORP (JP) 1999-07-28 — — EP disclosed
US-5395941-A Optically active 1,4-hydropyridine compounds MERCIAN CORPORATION (JP) 1995-03-07 — — US disclosed
EP-0636611-A2 Optically active 1,4-dihydropyridine derivatives and process for preparing the same MERCIAN CORPORATION (JP) 1995-02-01 — — EP disclosed
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