SCHEMBL9401769

SCHEMBL9401769

CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCCC=Cc2ccc(-n3ccnc3)cc2)=C(C)N1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.63
CACNA1C Q13936 9/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
ADORA3 P0DMS8 2/20 0.58
MLNR O43193 1/20 0.58
NR1I2 O75469 1/20 0.58
CACNA1H O95180 1/20 0.58
NR3C1 P04150 1/20 0.58
TBXA2R P21731 1/20 0.58
HTT P42858 1/20 0.58
PDE4D Q08499 1/20 0.58
SLC29A1 Q99808 1/20 0.58
CACNA1F O60840 8/20 0.55
CACNA1D Q01668 8/20 0.55
CACNA1S Q13698 8/20 0.55
PDE1C Q14123 1/20 0.51
CYP1A2 P05177 4/20 0.51
CYP3A4 P08684 4/20 0.51
CYP2C9 P11712 4/20 0.51

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
SCHEMBL9401754 1.00 CACNA1B (0.63) CACNA1BCACNA1CMEN1KMT2AADORA3
SCHEMBL9401895 0.97 CACNA1C (0.59) CACNA1BCACNA1CMEN1KMT2AADORA3
SCHEMBL9401760 0.97 CACNA1C (0.59) CACNA1BCACNA1CMEN1KMT2AADORA3
SCHEMBL7351585 0.87 CACNA1B (0.64) CACNA1BCACNA1CMEN1KMT2AADORA3
SCHEMBL7351579 0.87 CACNA1B (0.64) CACNA1BCACNA1CMEN1KMT2AADORA3
SCHEMBL9833239 0.86 CACNA1B (0.83) CACNA1BCACNA1CMEN1KMT2AADORA3
SCHEMBL9745206 0.84 CACNA1C (0.61) CACNA1BCACNA1CMEN1KMT2AADORA3
SCHEMBL9745201 0.84 CACNA1C (0.61) CACNA1BCACNA1CMEN1KMT2AADORA3
SCHEMBL7299912 0.83 MEN1 (0.57) CACNA1BCACNA1CMEN1KMT2AADORA3
SCHEMBL7299903 0.83 MEN1 (0.57) CACNA1BCACNA1CMEN1KMT2AADORA3

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-5286869-A Vasodilators and anticoagulants FUJIREBIO KABUSHIKI KAISHA (JP) 1994-02-15 US disclosed
EP-0403957-A2 Optical active 1,4-dihydropyridine derivates FUJIREBIO INC. (JP) 1990-12-27 EP disclosed