SCHEMBL9433733

SCHEMBL9433733

CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C(c2ccccn2)=C(C)N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.55
PDE1C Q14123 1/20 0.53
CACNA1C Q13936 10/20 0.53
CACNA1F O60840 9/20 0.53
CACNA1D Q01668 9/20 0.53
CACNA1S Q13698 9/20 0.53
ADORA3 P0DMS8 2/20 0.53
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
HIF1A Q16665 3/20 0.49
MAPT P10636 3/20 0.49
CYP1A2 P05177 3/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
LMNA P02545 2/20 0.49
CYP2D6 P10635 2/20 0.49
TSHR P16473 2/20 0.49
NFKB1 P19838 2/20 0.49
THPO P40225 2/20 0.49

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 SCHEMBL9434672 0.99 CACNA1B (0.54) CACNA1BPDE1CCACNA1CCACNA1FCACNA1D
SCHEMBL9433325 0.93 LMNA (0.57) CACNA1BPDE1CCACNA1CCACNA1FCACNA1D
SCHEMBL9434587 0.92 CACNA1F (0.53) CACNA1BPDE1CCACNA1CCACNA1FCACNA1D
SCHEMBL9434647 0.91 CACNA1F (0.52) CACNA1BPDE1CCACNA1CCACNA1FCACNA1D
SCHEMBL9434383 0.89 MAPT (0.64) PDE1CCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL9433634 0.89 CACNA1F (0.55) CACNA1BPDE1CCACNA1CCACNA1FCACNA1D
SCHEMBL9433333 0.88 CACNA1F (0.51) CACNA1BPDE1CCACNA1CCACNA1FCACNA1D
SCHEMBL9433863 0.88 GUSB (0.55) CACNA1BPDE1CCACNA1CCACNA1FCACNA1D
SCHEMBL9433894 0.88 CACNA1F (0.73) PDE1CCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL7382484 0.87 PDE1C (0.49) CACNA1BPDE1CCACNA1CCACNA1FCACNA1D

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
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed