SCHEMBL9733189

SCHEMBL9733189

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.59
CACNA1F O60840 10/20 0.49
CACNA1D Q01668 10/20 0.49
CACNA1S Q13698 10/20 0.49
CACNA1C Q13936 10/20 0.49
ADORA3 P0DMS8 1/20 0.45
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL9732316 0.93 CACNA1F (0.55) NR3C2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9732409 0.86 CACNA1F (0.64) NR3C2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9732179 0.84 CACNA1F (0.63) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9732705 0.84 CACNA1C (0.55) NR3C2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3034907 0.82 NR3C2 (0.61) NR3C2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3026973 0.82 NR3C2 (0.61) NR3C2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3018702 0.82 NR3C2 (0.61) NR3C2
SCHEMBL9734452 0.81 CACNA1F (0.59) NR3C2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3022593 0.81 ADORA3 (0.59) NR3C2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6951602 0.81 CACNA1C (0.63) NR3C2CACNA1FCACNA1DCACNA1SCACNA1C

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