SCHEMBL9733305

SCHEMBL9733305

C#Cc1cccc(C2C(C(=O)OC(C)C)=C(C)NC(C)=C2C(=O)OC(C)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 6/20 0.53
CACNA1F O60840 5/20 0.53
CACNA1D Q01668 5/20 0.53
CACNA1S Q13698 5/20 0.53
CYP1A2 P05177 4/20 0.51
CYP3A4 P08684 4/20 0.51
CYP2C9 P11712 4/20 0.51
CYP2C19 P33261 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
CYP2D6 P10635 2/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
THPO P40225 1/20 0.51
NR1I2 O75469 2/20 0.48
NR3C1 P04150 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
TBXA2R P21731 2/20 0.48

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
SCHEMBL9732705 0.93 CACNA1C (0.55) CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2
SCHEMBL9733144 0.91 CACNA1C (0.62) CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2
SCHEMBL9732611 0.89 CACNA1F (0.52) CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2
SCHEMBL9734218 0.87 CACNA1F (0.60) CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2
SCHEMBL9733309 0.86 MEN1 (0.69) CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2
SCHEMBL7265862 0.84 CACNA1F (0.63) CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2
SCHEMBL9732409 0.83 CACNA1F (0.64) CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2
SCHEMBL7160394 0.81 CACNA1C (0.77) CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2
SCHEMBL28612902 0.81 MEN1 (0.76) CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2
SCHEMBL7266800 0.80 CACNA1F (0.61) CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2

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-5158963-A Cognition activators; improve brain function KAKEN PHARMACEUTICAL CO., LTD. (JP) 1992-10-27 US disclosed
EP-0411549-A1 1,4-dihydropyridine derivative, process for preparing the same and pharmaceutical composition containing the same Kaken Pharmaceutical Co., Ltd. (JP) 1991-02-06 EP disclosed