SCHEMBL7485258

SCHEMBL7485258

CC1=C(C(=O)O)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCCCNC(=O)c2ccccc2C(=O)O)=C(C)N1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1F O60840 8/20 0.66
▸ CACNA1D Q01668 8/20 0.66
▸ CACNA1S Q13698 8/20 0.66
▸ CACNA1C Q13936 8/20 0.66
▸ PDE1C Q14123 1/20 0.63
▸ CACNA1B Q00975 1/20 0.61
▸ MEN1 O00255 5/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ MAPT P10636 4/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ ADORA3 P0DMS8 1/20 0.60
▸ CYP1A2 P05177 4/20 0.59
▸ CYP3A4 P08684 4/20 0.59
▸ CYP2C9 P11712 4/20 0.59
▸ CYP2C19 P33261 4/20 0.59
▸ LMNA P02545 3/20 0.59
▸ CYP2D6 P10635 2/20 0.59
▸ TSHR P16473 2/20 0.59
▸ NFKB1 P19838 2/20 0.59
▸ THPO P40225 2/20 0.59

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
SCHEMBL7481094 0.98 CACNA1C (0.68) CACNA1FCACNA1DCACNA1SCACNA1CPDE1C
SCHEMBL7480490 0.95 MEN1 (0.65) CACNA1FCACNA1DCACNA1SCACNA1CPDE1C
SCHEMBL7487761 0.93 MEN1 (0.67) CACNA1FCACNA1DCACNA1SCACNA1CPDE1C
SCHEMBL7479482 0.90 CACNA1B (0.65) CACNA1FCACNA1DCACNA1SCACNA1CPDE1C
SCHEMBL7486357 0.88 CACNA1C (0.67) CACNA1FCACNA1DCACNA1SCACNA1CPDE1C
SCHEMBL10661365 0.84 CACNA1F (0.67) CACNA1FCACNA1DCACNA1SCACNA1CPDE1C
SCHEMBL9808467 0.84 CACNA1F (0.70) CACNA1FCACNA1DCACNA1SCACNA1CPDE1C
SCHEMBL10653716 0.84 CACNA1F (0.70) CACNA1FCACNA1DCACNA1SCACNA1CPDE1C
SCHEMBL9795155 0.84 CACNA1F (0.82) CACNA1FCACNA1DCACNA1SCACNA1CPDE1C
SCHEMBL3065413 0.84 MEN1 (0.81) CACNA1FCACNA1DCACNA1SCACNA1CPDE1C

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
EP-0779277-B1 1,4-DIHYDROPYRIDINE DERIVATIVE MERCIAN CORP (JP) 2002-07-10 — — EP disclosed
EP-0779277-A1 1,4-DIHYDROPYRIDINE DERIVATIVE MERCIAN CORPORATION (JP) 1997-06-18 — — EP disclosed
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