SCHEMBL9734218

SCHEMBL9734218

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 11/20 0.60
CACNA1D Q01668 11/20 0.60
CACNA1S Q13698 11/20 0.60
CACNA1C Q13936 11/20 0.60
ADORA3 P0DMS8 2/20 0.56
MEN1 O00255 4/20 0.56
CYP1A2 P05177 4/20 0.56
CYP3A4 P08684 4/20 0.56
CYP2C9 P11712 4/20 0.56
CYP2C19 P33261 4/20 0.56
KMT2A Q03164 4/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 3/20 0.56
TSHR P16473 3/20 0.56
CYP2D6 P10635 2/20 0.56
NFKB1 P19838 2/20 0.56
THPO P40225 2/20 0.56
HIF1A Q16665 3/20 0.53
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53

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) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9732179 0.93 CACNA1F (0.63) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9732874 0.93 CACNA1F (0.57) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9733309 0.90 MEN1 (0.69) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11837499 0.90 CACNA1F (0.71) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9732611 0.89 CACNA1F (0.52) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9733144 0.89 CACNA1C (0.62) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9732861 0.89 ADORA3 (0.59) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9733953 0.89 ADORA3 (0.70) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9732325 0.88 CACNA1F (0.61) 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 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