SCHEMBL9733309

SCHEMBL9733309

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
CYP1A2 P05177 2/20 0.69
CYP3A4 P08684 2/20 0.69
CYP2C9 P11712 2/20 0.69
CYP2C19 P33261 2/20 0.69
LMNA P02545 2/20 0.69
CYP2D6 P10635 1/20 0.69
TSHR P16473 1/20 0.69
NFKB1 P19838 1/20 0.69
THPO P40225 1/20 0.69
MAPT P10636 1/20 0.69
CACNA1C Q13936 12/20 0.57
CACNA1F O60840 11/20 0.57
CACNA1D Q01668 11/20 0.57
CACNA1S Q13698 11/20 0.57
CACNA1B Q00975 2/20 0.49
NR1I2 O75469 2/20 0.49
NR3C1 P04150 2/20 0.49
ADORA3 P0DMS8 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
SCHEMBL10745598 0.91 CACNA1C (0.70) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9734218 0.90 CACNA1F (0.60) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9732705 0.90 CACNA1C (0.55) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9733144 0.88 CACNA1C (0.62) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL17286822 0.87 MEN1 (0.74) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL8286960 0.86 MEN1 (0.73) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9733305 0.86 CACNA1C (0.53) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9732611 0.86 CACNA1F (0.52) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL23686116 0.84 KMT2A (0.70) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9841995 0.84 MEN1 (0.51) MEN1KMT2ACYP1A2CYP3A4CYP2C9

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